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

Systemtic Name: 1-(4-bromophenyl)-N-[3-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]methanimine Openeye Name: N-[3-benzylsulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-1-(4-bromophenyl)methanimine CAS Name: 1-(4-bromophenyl)-N-[3-(phenylmethylthio)-5-pyridin-4-yl-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(4-pyridyl)-1,2,4-triazol-4-yl]-(4-bromobenzylidene)amine Formula: C21H16BrN5S MolecularWeight: 450.35424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2/N=C/C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H16BrN5S/c22-19-8-6-16(7-9-19)14-24-27-20(18-10-12-23-13-11-18)25-26-21(27)28-15-17-4-2-1-3-5-17/h1-14H,15H2/b24-14+