N-(4-methylphenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[4-allyl-3-(phenylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[3-[(phenylthio)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[3-(phenylsulfanylmethyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[4-allyl-3-[(phenylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)CSC3=CC=CC=C3)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)CSC3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H22N4OS2/c1-3-13-24-19(15-28-18-7-5-4-6-8-18)23-25(21(24)27)14-20(26)22-17-11-9-16(2)10-12-17/h3-12H,1,13-15H2,2H3,(H,22,26)