tert-butyl N-methyl-N-[3-(4-sulfanyl-1H-pyrazol-5-yl)propyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[3-(4-sulfanyl-1H-pyrazol-5-yl)propyl]carbamate Openeye Name: tert-butyl N-methyl-N-[3-(4-sulfanyl-1H-pyrazol-5-yl)propyl]carbamate CAS Name: N-[3-(4-mercapto-1H-pyrazol-5-yl)propyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[3-(4-sulfanyl-1H-pyrazol-5-yl)propyl]carbamate Traditional Name: N-[3-(4-mercapto-1H-pyrazol-5-yl)propyl]-N-methyl-carbamic acid tert-butyl ester Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCCC1=C(C=NN1)S

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCCC1=C(C=NN1)S

InChI

InChI=1S/C12H21N3O2S/c1-12(2,3)17-11(16)15(4)7-5-6-9-10(18)8-13-14-9/h8,18H,5-7H2,1-4H3,(H,13,14)