2-methyl-4-(3-methyl-4-nitro-phenyl)sulfanyl-1-nitro-benzene

Systemtic Name: 2-methyl-4-(3-methyl-4-nitro-phenyl)sulfanyl-1-nitro-benzene Openeye Name: 2-methyl-4-(3-methyl-4-nitro-phenyl)sulfanyl-1-nitro-benzene CAS Name: 2-methyl-4-[(3-methyl-4-nitrophenyl)thio]-1-nitrobenzene IUPAC Name: 2-methyl-4-(3-methyl-4-nitrophenyl)sulfanyl-1-nitrobenzene Traditional Name: 2-methyl-4-[(3-methyl-4-nitro-phenyl)thio]-1-nitro-benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c1-9-7-11(3-5-13(9)15(17)18)21-12-4-6-14(16(19)20)10(2)8-12/h3-8H,1-2H3