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

Systemtic Name: 4-butyl-3-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C17H24N4O3S/c1-6-7-8-21-16(24)19-20-17(21)25-12(5)15(23)14-9(2)13(11(4)22)10(3)18-14/h12,18H,6-8H2,1-5H3,(H,19,24)/t12-/m1/s1