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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H15N5O2S/c1-5-9(7(3)18)6(2)14-10(5)8(19)4-20-12-15-11(13)16-17-12/h14H,4H2,1-3H3,(H3,13,15,16,17)