5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1,3-dimethyl-benzimidazol-2-one

Systemtic Name: 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-1,3-dimethyl-benzimidazol-2-one Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CSC3=NNC(=N3)N)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CSC3=NNC(=N3)N)N(C1=O)C

InChI

InChI=1S/C13H14N6O2S/c1-18-8-4-3-7(5-9(8)19(2)13(18)21)10(20)6-22-12-15-11(14)16-17-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17)