1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NN=CN2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NN=CN2C

InChI

InChI=1S/C14H18N4O2S/c1-7-11(9(3)19)8(2)16-12(7)13(20)10(4)21-14-17-15-6-18(14)5/h6,10,16H,1-5H3