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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-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)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3

InChI

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