1,3-dimethyl-5-(4-nitrophenyl)sulfanyl-benzene

Systemtic Name: 1,3-dimethyl-5-(4-nitrophenyl)sulfanyl-benzene Openeye Name: 1,3-dimethyl-5-(4-nitrophenyl)sulfanyl-benzene CAS Name: 1,3-dimethyl-5-[(4-nitrophenyl)thio]benzene IUPAC Name: 1,3-dimethyl-5-(4-nitrophenyl)sulfanylbenzene Traditional Name: 1,3-dimethyl-5-[(4-nitrophenyl)thio]benzene Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c1-10-7-11(2)9-14(8-10)18-13-5-3-12(4-6-13)15(16)17/h3-9H,1-2H3