1,5-dimethyl-2-nitro-3-phenylsulfanyl-benzene

Systemtic Name: 1,5-dimethyl-2-nitro-3-phenylsulfanyl-benzene Openeye Name: 1,5-dimethyl-2-nitro-3-phenylsulfanyl-benzene CAS Name: 1,5-dimethyl-2-nitro-3-(phenylthio)benzene IUPAC Name: 1,5-dimethyl-2-nitro-3-phenylsulfanylbenzene Traditional Name: 1,5-dimethyl-2-nitro-3-(phenylthio)benzene Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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