PDB CCD ID: | 4ED |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H14 N2 S |
InChI: | InChI=1S/C16H14N2S/c1-11-8-14-15(9-12(11)2)19-16(18-14)6-5-13-4-3-7-17-10-13/h3-10H,1-2H3/b6-5+ |
InChIKey: | RPEVBUFPLMBCTD-AATRIKPKSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Cc1cc2sc(C=Cc3cccnc3)nc2cc1C | CACTVS 3.385 | Cc1cc2sc(\C=C\c3cccnc3)nc2cc1C | ACDLabs 12.01 | c1ccncc1\C=C\c3nc2cc(C)c(cc2s3)C | OpenEye OEToolkits 1.9.2 | Cc1cc2c(cc1C)sc(n2)C=Cc3cccnc3 | OpenEye OEToolkits 1.9.2 | Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3 |
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Name: | 5,6-dimethyl-2-[(E)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole |