3-(4-iodanyl-3-methyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-iodanyl-3-methyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-(4-iodo-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-(4-iodo-3-methyl-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-(4-iodo-3-methylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-(4-iodo-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H19IN4O3S MolecularWeight: 522.35933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)C)I

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)C)I

InChI

InChI=1S/C20H19IN4O3S/c1-13-3-5-17(6-4-13)29-18-10-15(9-16(11-18)25(27)28)22-20(26)7-8-24-12-19(21)14(2)23-24/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)