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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C8H13N5OS MolecularWeight: 227.28672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=N2)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NNC(=N2)N

InChI

InChI=1S/C8H13N5OS/c9-7-11-8(13-12-7)15-5-3-1-2-4-10-6(5)14/h5H,1-4H2,(H,10,14)(H3,9,11,12,13)