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

Systemtic Name: 3-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-15-14-18-10-6-7-11-19(18)26(15)20(27)16(2)29-22-24-23-21(28)25(22)13-12-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,28)/t15-,16-/m0/s1