1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]methanethiol Formula: C21H15BrN6S MolecularWeight: 463.353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5)S

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5)S

InChI

InChI=1S/C21H15BrN6S/c22-14-5-7-15(8-6-14)28-20(13-9-11-23-12-10-13)26-27-21(28)18(29)19-24-16-3-1-2-4-17(16)25-19/h1-12,18,29H,(H,24,25)