[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)SC

InChI

InChI=1S/C21H20N4O3S/c1-14-22-23-21(29-2)25(14)17-9-7-16(8-10-17)20(27)28-13-19(26)24-12-11-15-5-3-4-6-18(15)24/h3-10H,11-13H2,1-2H3