2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[3-(1-pyrazolyl)propyl]benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(N=C1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O3S/c20-14-3-6-16(7-4-14)28-18-8-5-15(24(26)27)13-17(18)19(25)21-9-1-11-23-12-2-10-22-23/h2-8,10,12-13H,1,9,11H2,(H,21,25)