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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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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=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O5S/c1-13-2-4-16(5-3-13)30-17-11-14(10-15(12-17)23(26)27)20-19(25)7-9-22-8-6-18(21-22)24(28)29/h2-6,8,10-12H,7,9H2,1H3,(H,20,25)