2-chloranyl-4-nitro-3-(phenylmethylsulfanyl)aniline

Systemtic Name: 2-chloranyl-4-nitro-3-(phenylmethylsulfanyl)aniline Openeye Name: 3-benzylsulfanyl-2-chloro-4-nitro-aniline CAS Name: 2-chloro-4-nitro-3-(phenylmethylthio)aniline IUPAC Name: 3-benzylsulfanyl-2-chloro-4-nitroaniline Traditional Name: [3-(benzylthio)-2-chloro-4-nitro-phenyl]amine Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC(=C2Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC(=C2Cl)N)[N+](=O)[O-]

InChI

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