ethyl 5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=C(C=CC(=C2)C(=O)NC3CC3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=C(C=CC(=C2)C(=O)NC3CC3)C)N

InChI

InChI=1S/C18H22N4O3S/c1-4-25-18(24)14-15(19)22(21-17(14)26-3)13-9-11(6-5-10(13)2)16(23)20-12-7-8-12/h5-6,9,12H,4,7-8,19H2,1-3H3,(H,20,23)