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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(1-pyrazolylmethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H20N6OS/c1-15-5-2-7-17(11-15)20-24-25-21(29)27(20)14-19(28)23-18-8-3-6-16(12-18)13-26-10-4-9-22-26/h2-12H,13-14H2,1H3,(H,23,28)(H,25,29)