4-[(3,5-dinitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3-dithiole

Systemtic Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3-dithiole Openeye Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]-5-(p-tolyl)-1,3-dithiole CAS Name: 4-[(3,5-dinitrophenyl)methylthio]-5-(4-methylphenyl)-1,3-dithiole IUPAC Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3-dithiole Traditional Name: 4-[(3,5-dinitrobenzyl)thio]-5-(p-tolyl)-1,3-dithiole Formula: C17H14N2O4S3 MolecularWeight: 406.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SCS2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SCS2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S3/c1-11-2-4-13(5-3-11)16-17(26-10-25-16)24-9-12-6-14(18(20)21)8-15(7-12)19(22)23/h2-8H,9-10H2,1H3