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

Systemtic Name: 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-dimethyl-benzimidazol-2-one Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C)SC3=NNC(=N3)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C)SC3=NNC(=N3)N

InChI

InChI=1S/C14H16N6O2S/c1-7(23-13-16-12(15)17-18-13)11(21)8-4-5-9-10(6-8)20(3)14(22)19(9)2/h4-7H,1-3H3,(H3,15,16,17,18)