1-(4-bromophenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-bromophenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine CAS Name: 1-(4-bromophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-bromobenzylidene)amine Formula: C17H15BrN4S MolecularWeight: 387.2968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC=C(C=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4S/c1-13-20-21-17(23-12-15-5-3-2-4-6-15)22(13)19-11-14-7-9-16(18)10-8-14/h2-11H,12H2,1H3/b19-11+