3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NNC(=O)N2CCCOC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NNC(=O)N2CCCOC

InChI

InChI=1S/C16H22N4O4S/c1-9-13(11(3)21)10(2)17-14(9)12(22)8-25-16-19-18-15(23)20(16)6-5-7-24-4/h17H,5-8H2,1-4H3,(H,18,23)