ethyl 2-[4-methyl-5-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-5-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC(C)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC(C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C19H22N4O3S/c1-5-26-16(24)10-15-21-22-19(23(15)4)27-12(3)18(25)17-11(2)20-14-9-7-6-8-13(14)17/h6-9,12,20H,5,10H2,1-4H3