3-cyano-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-cyano-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-cyano-benzamide CAS Name: 3-cyano-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzamide IUPAC Name: 3-cyano-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-cyano-benzamide Formula: C17H14N6OS2 MolecularWeight: 382.46266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC(=C2)C#N)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC(=C2)C#N)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C17H14N6OS2/c1-3-7-23-14(21-22-17(23)25)13-10(2)19-16(26-13)20-15(24)12-6-4-5-11(8-12)9-18/h3-6,8H,1,7H2,2H3,(H,22,25)(H,19,20,24)