4-(4-bromophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine

Systemtic Name: 4-(4-bromophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-amine CAS Name: 4-(4-bromophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-(4-bromophenyl)-1,2,4-triazol-3-yl]amine Formula: C15H13BrN4S MolecularWeight: 361.25952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)N

InChI

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