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

Systemtic Name: 1-(4-tert-butylphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(4-tert-butylphenyl)-N-[3-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(4-tert-butylphenyl)-N-[3-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(4-tert-butylphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(4-tert-butylbenzylidene)-[3-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=CN2/N=C/C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4S/c1-16-5-7-18(8-6-16)14-26-20-24-22-15-25(20)23-13-17-9-11-19(12-10-17)21(2,3)4/h5-13,15H,14H2,1-4H3/b23-13+