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

Systemtic Name: 1-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C8H14N4OS MolecularWeight: 214.28796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C8H14N4OS/c1-8(2,3)5(13)4-14-7-10-6(9)11-12-7/h4H2,1-3H3,(H3,9,10,11,12)