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

Systemtic Name: methyl 5-azanyl-1-[4-(3-propylsulfanylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(3-propylsulfanylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-(propylthio)propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(3-propylsulfanylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(propylthio)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

Isomeric SMILES

CCCSCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

InChI

InChI=1S/C18H24N4O3S/c1-3-10-26-11-4-9-20-17(23)13-5-7-14(8-6-13)22-16(19)15(12-21-22)18(24)25-2/h5-8,12H,3-4,9-11,19H2,1-2H3,(H,20,23)