tert-butyl N-[3-oxidanylidene-2-(2-phenylsulfanylethyl)-1H-pyrazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-2-(2-phenylsulfanylethyl)-1H-pyrazol-5-yl]carbamate Openeye Name: tert-butyl N-[3-oxo-2-(2-phenylsulfanylethyl)-1H-pyrazol-5-yl]carbamate CAS Name: N-[3-oxo-2-[2-(phenylthio)ethyl]-1H-pyrazol-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-2-(2-phenylsulfanylethyl)-1H-pyrazol-5-yl]carbamate Traditional Name: N-[5-keto-1-[2-(phenylthio)ethyl]-3-pyrazolin-3-yl]carbamic acid tert-butyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=O)N(N1)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=O)N(N1)CCSC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)22-15(21)17-13-11-14(20)19(18-13)9-10-23-12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,17,21)