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

Systemtic Name: 2-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(2-pyrazinyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole IUPAC Name: 2-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methylthio]-1H-benzimidazole Formula: C14H11N7S MolecularWeight: 309.34904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N7S/c1-2-4-10-9(3-1)17-14(18-10)22-8-12-19-13(21-20-12)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)(H,19,20,21)