1-(4-butoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-butoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(4-butoxyphenyl)-N-[3-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(4-butoxyphenyl)-N-[3-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(4-butoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(4-butoxybenzylidene)-[3-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4OS/c1-3-4-13-26-20-11-9-18(10-12-20)14-23-25-16-22-24-21(25)27-15-19-7-5-17(2)6-8-19/h5-12,14,16H,3-4,13,15H2,1-2H3/b23-14+