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

Systemtic Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OCC)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OCC)C

InChI

InChI=1S/C21H26N4O3S/c1-5-11-24-20(27)22-23-21(24)29-13-19(26)18-12-14(3)25(15(18)4)16-7-9-17(10-8-16)28-6-2/h7-10,12H,5-6,11,13H2,1-4H3,(H,22,27)