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

Systemtic Name: 1-(4-tert-butylphenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-tert-butylphenyl)methanimine CAS Name: 1-(4-tert-butylphenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-tert-butylphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(4-tert-butylbenzylidene)amine Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4S/c1-20(2,3)18-11-9-16(10-12-18)13-22-24-15-21-23-19(24)25-14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3/b22-13+