4-chloranyl-N-[[(4-nitrophenyl)amino]-sulfanyl-methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[(4-nitrophenyl)amino]-sulfanyl-methyl]benzamide Openeye Name: 4-chloro-N-[(4-nitroanilino)-sulfanyl-methyl]benzamide CAS Name: 4-chloro-N-[mercapto-(4-nitroanilino)methyl]benzamide IUPAC Name: 4-chloro-N-[(4-nitroanilino)-sulfanylmethyl]benzamide Traditional Name: 4-chloro-N-[mercapto-(4-nitroanilino)methyl]benzamide Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(NC2=CC=C(C=C2)[N+](=O)[O-])S)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(NC2=CC=C(C=C2)[N+](=O)[O-])S)Cl

InChI

InChI=1S/C14H12ClN3O3S/c15-10-3-1-9(2-4-10)13(19)17-14(22)16-11-5-7-12(8-6-11)18(20)21/h1-8,14,16,22H,(H,17,19)