3-[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2-indolin-1-yl-1-methyl-2-oxo-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-indolin-1-yl-2-keto-1-methyl-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-15(19(26)24-14-12-17-9-5-6-10-18(17)24)28-21-23-22-20(27)25(21)13-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,27)