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

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)18-13-24-25(19(18)22)16-8-6-15(7-9-16)20(26)23-12-14-4-10-17(29-2)11-5-14/h4-11,13H,3,12,22H2,1-2H3,(H,23,26)