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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C16H22N4O2S/c1-6-7-12-18-16(20-19-12)23-11(5)15(22)14-8(2)13(10(4)21)9(3)17-14/h11,17H,6-7H2,1-5H3,(H,18,19,20)