6-(2-methyl-6-pyridin-3-yl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-2-yl-1H-benzimidazole

Systemtic Name: 6-(2-methyl-6-pyridin-3-yl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-2-yl-1H-benzimidazole Openeye Name: 6-[2-methyl-6-(3-pyridyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(2-pyridyl)-1H-benzimidazole CAS Name: 6-[2-methyl-6-(3-pyridinyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-(2-pyridinyl)-1H-benzimidazole IUPAC Name: 6-(2-methyl-6-pyridin-3-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-2-yl-1H-benzimidazole Traditional Name: 6-[2-methyl-6-(3-pyridyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-(2-pyridyl)-1H-benzimidazole Formula: C27H21N7S MolecularWeight: 475.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC3=C(C(=C2)SC4=NN=CN4C)N=C(N3)C5=CC=CC=N5)C6=CN=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1C2=CC3=C(C(=C2)SC4=NN=CN4C)N=C(N3)C5=CC=CC=N5)C6=CN=CC=C6

InChI

InChI=1S/C27H21N7S/c1-17-7-5-9-20(18-8-6-11-28-15-18)24(17)19-13-22-25(23(14-19)35-27-33-30-16-34(27)2)32-26(31-22)21-10-3-4-12-29-21/h3-16H,1-2H3,(H,31,32)