2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C12H17N5OS MolecularWeight: 279.36128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)N)C

InChI

InChI=1S/C12H17N5OS/c1-4-17-7(2)5-9(8(17)3)10(18)6-19-12-14-11(13)15-16-12/h5H,4,6H2,1-3H3,(H3,13,14,15,16)