4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H15ClFN3O4S MolecularWeight: 411.835103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClFN3O4S/c1-21(8-11-12(18)3-2-4-13(11)19)16(23)9-27-15-6-5-10(17(20)24)7-14(15)22(25)26/h2-7H,8-9H2,1H3,(H2,20,24)