1-(3-bromanyl-4-methoxy-phenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-N-[3-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-[3-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(3-bromo-4-methoxy-benzylidene)-[3-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4OS/c1-13-3-5-14(6-4-13)11-25-18-22-20-12-23(18)21-10-15-7-8-17(24-2)16(19)9-15/h3-10,12H,11H2,1-2H3/b21-10+