2,5-bis[(4-methylphenyl)sulfanyl]-3,4-dinitro-thiophene

Systemtic Name: 2,5-bis[(4-methylphenyl)sulfanyl]-3,4-dinitro-thiophene Openeye Name: 3,4-dinitro-2,5-bis(p-tolylsulfanyl)thiophene CAS Name: 2,5-bis[(4-methylphenyl)thio]-3,4-dinitrothiophene IUPAC Name: 2,5-bis[(4-methylphenyl)sulfanyl]-3,4-dinitrothiophene Traditional Name: 3,4-dinitro-2,5-bis(p-tolylthio)thiophene Formula: C18H14N2O4S3 MolecularWeight: 418.50976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(S2)SC3=CC=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(S2)SC3=CC=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S3/c1-11-3-7-13(8-4-11)25-17-15(19(21)22)16(20(23)24)18(27-17)26-14-9-5-12(2)6-10-14/h3-10H,1-2H3