1-(2-methylphenyl)-N-[3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(2-methylphenyl)-N-[3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-yl)-1-(o-tolyl)methanimine CAS Name: 1-(2-methylphenyl)-N-[3-(phenylmethylthio)-5-propyl-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-propyl-1,2,4-triazol-4-yl]-(2-methylbenzylidene)amine Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N=CC2=CC=CC=C2C)SCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(N1/N=C/C2=CC=CC=C2C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c1-3-9-19-22-23-20(25-15-17-11-5-4-6-12-17)24(19)21-14-18-13-8-7-10-16(18)2/h4-8,10-14H,3,9,15H2,1-2H3/b21-14+