1-methyl-4-nitro-2-phenylsulfanyl-benzene

Systemtic Name: 1-methyl-4-nitro-2-phenylsulfanyl-benzene Openeye Name: 1-methyl-4-nitro-2-phenylsulfanyl-benzene CAS Name: 1-methyl-4-nitro-2-(phenylthio)benzene IUPAC Name: 1-methyl-4-nitro-2-phenylsulfanylbenzene Traditional Name: 1-methyl-4-nitro-2-(phenylthio)benzene Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2S/c1-10-7-8-11(14(15)16)9-13(10)17-12-5-3-2-4-6-12/h2-9H,1H3