N-[[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS/c1-3-13-25-19(14-22-20(26)18-7-5-4-6-8-18)23-24-21(25)27-15-17-11-9-16(2)10-12-17/h3-12H,1,13-15H2,2H3,(H,22,26)