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

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2S/c1-4-11-25-20(27)22-23-21(25)28-14-19(26)18-13-15(2)24(16(18)3)12-10-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3,(H,22,27)