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

Systemtic Name: 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-dihydrobenzimidazol-2-one Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)NC(=O)N2)SC3=NNC(=N3)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)NC(=O)N2)SC3=NNC(=N3)N

InChI

InChI=1S/C12H12N6O2S/c1-5(21-12-16-10(13)17-18-12)9(19)6-2-3-7-8(4-6)15-11(20)14-7/h2-5H,1H3,(H2,14,15,20)(H3,13,16,17,18)