ethyl 5-azanyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(methylthio)anilino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[[3-(methylthio)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)N

InChI

InChI=1S/C20H20N4O3S/c1-3-27-20(26)17-12-22-24(18(17)21)15-9-7-13(8-10-15)19(25)23-14-5-4-6-16(11-14)28-2/h4-12H,3,21H2,1-2H3,(H,23,25)