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

Systemtic Name: 1-(3,4-diethoxyphenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-diethoxyphenyl)methanimine CAS Name: 1-(3,4-diethoxyphenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-diethoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(3,4-diethoxybenzylidene)amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-3-25-18-11-10-17(12-19(18)26-4-2)13-22-24-15-21-23-20(24)27-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3/b22-13+