4-nitro-3-(phenylmethylsulfanyl)aniline

Systemtic Name: 4-nitro-3-(phenylmethylsulfanyl)aniline Openeye Name: 3-benzylsulfanyl-4-nitro-aniline CAS Name: 4-nitro-3-(phenylmethylthio)aniline IUPAC Name: 3-benzylsulfanyl-4-nitroaniline Traditional Name: [3-(benzylthio)-4-nitro-phenyl]amine Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC(=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC(=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O2S/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2