3-(4-methylphenyl)sulfanyl-5-nitro-aniline

Systemtic Name: 3-(4-methylphenyl)sulfanyl-5-nitro-aniline Openeye Name: 3-nitro-5-(p-tolylsulfanyl)aniline CAS Name: 3-[(4-methylphenyl)thio]-5-nitroaniline IUPAC Name: 3-(4-methylphenyl)sulfanyl-5-nitroaniline Traditional Name: [3-nitro-5-(p-tolylthio)phenyl]amine Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H12N2O2S/c1-9-2-4-12(5-3-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,14H2,1H3