2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]ethanamide Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-[1-(p-tolylmethyl)pyrazol-3-yl]acetamide CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]acetamide IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide Traditional Name: N-[1-(4-methylbenzyl)pyrazol-3-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CSC3=NNC(=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CSC3=NNC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O3S/c1-11-3-5-13(6-4-11)9-22-8-7-14(21-22)18-15(24)10-27-17-16(23(25)26)12(2)19-20-17/h3-8H,9-10H2,1-2H3,(H,19,20)(H,18,21,24)