2-chloranyl-5-[(2E)-2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]hydrazinyl]benzoate

Systemtic Name: 2-chloranyl-5-[(2E)-2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]hydrazinyl]benzoate Openeye Name: 2-chloro-5-[(2E)-2-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]hydrazino]benzoate CAS Name: 2-chloro-5-[(2E)-2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]hydrazinyl]benzoate IUPAC Name: 2-chloro-5-[(2E)-2-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]hydrazinyl]benzoate Traditional Name: 2-chloro-5-[(N'E)-N'-[3-nitro-4-(p-tolylthio)benzylidene]hydrazino]benzoate Formula: C21H15ClN3O4S- MolecularWeight: 440.8795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-13-2-6-16(7-3-13)30-20-9-4-14(10-19(20)25(28)29)12-23-24-15-5-8-18(22)17(11-15)21(26)27/h2-12,24H,1H3,(H,26,27)/p-1/b23-12+