2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole Formula: C15H12N6S MolecularWeight: 308.36098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C15H12N6S/c1-2-4-12-11(3-1)17-15(18-12)22-9-13-19-14(21-20-13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)(H,19,20,21)