N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-2-15-3-5-16(6-4-15)13-23-19(11-12-21-23)22-20(25)14-28-18-9-7-17(8-10-18)24(26)27/h3-12H,2,13-14H2,1H3,(H,22,25)