N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N5OS2/c1-12-5-4-6-13(9-12)18-22-23-19(26)24(18)11-16(25)20-10-17-21-14-7-2-3-8-15(14)27-17/h2-9H,10-11H2,1H3,(H,20,25)(H,23,26)