tert-butyl 2-(3-azanyl-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate

Systemtic Name: tert-butyl 2-(3-azanyl-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate Openeye Name: tert-butyl 2-(3-amino-1-methyl-pyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate CAS Name: 2-[(3-amino-1-methyl-4-pyrazolyl)thio]-3-(4-chlorophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-1-methylpyrazol-4-yl)sulfanyl-3-(4-chlorophenyl)propanoate Traditional Name: 2-[(3-amino-1-methyl-pyrazol-4-yl)thio]-3-(4-chlorophenyl)propionic acid tert-butyl ester Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Cl)SC2=CN(N=C2N)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Cl)SC2=CN(N=C2N)C

InChI

InChI=1S/C17H22ClN3O2S/c1-17(2,3)23-16(22)13(9-11-5-7-12(18)8-6-11)24-14-10-21(4)20-15(14)19/h5-8,10,13H,9H2,1-4H3,(H2,19,20)