3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-bromophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-bromophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-bromophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-(2-bromophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-bromophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-(2-bromophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H13BrN6S MolecularWeight: 401.28362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C16H13BrN6S/c17-11-6-2-1-5-10(11)15-21-22-16(23(15)18)24-9-14-19-12-7-3-4-8-13(12)20-14/h1-8H,9,18H2,(H,19,20)