1-(4-tert-butylphenyl)-N-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-tert-butylphenyl)-N-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-tert-butylphenyl)methanimine CAS Name: 1-(4-tert-butylphenyl)-N-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-tert-butylphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-phenyl-1,2,4-triazol-4-yl]-(4-tert-butylbenzylidene)amine Formula: C26H26N4S MolecularWeight: 426.57644

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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)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4S/c1-26(2,3)23-16-14-20(15-17-23)18-27-30-24(22-12-8-5-9-13-22)28-29-25(30)31-19-21-10-6-4-7-11-21/h4-18H,19H2,1-3H3/b27-18+