N-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-aniline

Systemtic Name: N-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-aniline Openeye Name: N-[(4-chlorophenyl)sulfanylmethyl]-3-nitro-aniline CAS Name: N-[[(4-chlorophenyl)thio]methyl]-3-nitroaniline IUPAC Name: N-[(4-chlorophenyl)sulfanylmethyl]-3-nitroaniline Traditional Name: [(4-chlorophenyl)thio]methyl-(3-nitrophenyl)amine Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O2S/c14-10-4-6-13(7-5-10)19-9-15-11-2-1-3-12(8-11)16(17)18/h1-8,15H,9H2