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

Systemtic Name: 1-(3,4-diethoxyphenyl)-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-(3,4-diethoxyphenyl)methanimine CAS Name: 1-(3,4-diethoxyphenyl)-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-(3,4-diethoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(3,4-diethoxybenzylidene)amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C)OCC

InChI

InChI=1S/C21H24N4O2S/c1-4-26-19-12-11-18(13-20(19)27-5-2)14-22-25-16(3)23-24-21(25)28-15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3/b22-14+