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

Systemtic Name: methyl 5-azanyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-26-19(25)16-11-21-23(17(16)20)14-8-6-12(7-9-14)18(24)22-13-4-3-5-15(10-13)27-2/h3-11H,20H2,1-2H3,(H,22,24)