N-[(2-bromophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-[(2-bromophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-[(2-bromophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-[(2-bromophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-[(2-bromophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: (2-bromobenzyl)-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C15H13BrN4S MolecularWeight: 361.25952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SC3=NC=NN3)Br

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)SC3=NC=NN3)Br

InChI

InChI=1S/C15H13BrN4S/c16-14-4-2-1-3-11(14)9-17-12-5-7-13(8-6-12)21-15-18-10-19-20-15/h1-8,10,17H,9H2,(H,18,19,20)