4-butyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[(2R)-2-methylindolin-1-yl]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2C(CC3=CC=CC=C32)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2[C@@H](CC3=CC=CC=C32)C

InChI

InChI=1S/C17H22N4O2S/c1-3-4-9-20-16(23)18-19-17(20)24-11-15(22)21-12(2)10-13-7-5-6-8-14(13)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,23)/t12-/m1/s1