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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)SC)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)SC)N

InChI

InChI=1S/C20H20N4O3S/c1-27-20(26)17-12-23-24(18(17)21)15-7-5-14(6-8-15)19(25)22-11-13-3-9-16(28-2)10-4-13/h3-10,12H,11,21H2,1-2H3,(H,22,25)