1-(4-pentoxyphenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-pentoxyphenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-pentoxyphenyl)methanimine CAS Name: 1-(4-pentoxyphenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-pentoxyphenyl)methanimine Traditional Name: (E)-(4-amoxybenzylidene)-[3-(benzylthio)-1,2,4-triazol-4-yl]amine Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-7-14-26-20-12-10-18(11-13-20)15-23-25-17-22-24-21(25)27-16-19-8-5-4-6-9-19/h4-6,8-13,15,17H,2-3,7,14,16H2,1H3/b23-15+