4-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[2-(4-chlorobenzyl)pyrazol-3-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN5O4S/c20-14-4-1-12(2-5-14)10-24-17(7-8-22-24)23-18(26)11-30-16-6-3-13(19(21)27)9-15(16)25(28)29/h1-9H,10-11H2,(H2,21,27)(H,23,26)