methyl 2-[[6-[(2-chlorophenyl)methyl]-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(2-chlorophenyl)methyl]-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(2-chlorobenzyl)-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)SCC(=O)OC)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)SCC(=O)OC)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-9-11(7-10-5-3-4-6-12(10)17)14(23)21-15(18-9)19-16(20-21)25-8-13(22)24-2/h3-6H,7-8H2,1-2H3,(H,18,19,20)