ethyl 5-azanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-[2-oxo-2-(p-tolyl)ethyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-methylphenyl)-2-oxoethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(4-methylphenyl)-2-oxoethyl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-keto-2-(p-tolyl)ethyl]-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)CC(=O)C2=CC=C(C=C2)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)CC(=O)C2=CC=C(C=C2)C)N

InChI

InChI=1S/C16H19N3O3S/c1-4-22-16(21)13-14(17)19(18-15(13)23-3)9-12(20)11-7-5-10(2)6-8-11/h5-8H,4,9,17H2,1-3H3