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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(indoline-1-carbonyl)propyl 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 [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] 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 1-(indoline-1-carbonyl)propyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

Isomeric SMILES

CCC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

InChI

InChI=1S/C23H24N4O3S/c1-4-20(21(28)26-14-13-16-7-5-6-8-19(16)26)30-22(29)17-9-11-18(12-10-17)27-15(2)24-25-23(27)31-3/h5-12,20H,4,13-14H2,1-3H3