2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-[(4-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-[(4-methylbenzyl)thio]ethyl]acetamide Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O3S/c1-12-4-6-15(7-5-12)11-25-9-8-18-16(22)10-20-14(3)17(21(23)24)13(2)19-20/h4-7H,8-11H2,1-3H3,(H,18,22)