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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS2/c1-14-7-9-15(10-8-14)20-23-24-21(28)26(20)12-11-19(27)25(2)13-18-22-16-5-3-4-6-17(16)29-18/h3-10H,11-13H2,1-2H3,(H,24,28)