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

Systemtic Name: 1-(4-butoxyphenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-butoxyphenyl)methanimine CAS Name: 1-(4-butoxyphenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-butoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-butoxybenzylidene)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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-3-4-14-26-20-12-10-18(11-13-20)15-22-25-17(2)23-24-21(25)27-16-19-8-6-5-7-9-19/h5-13,15H,3-4,14,16H2,1-2H3/b22-15+