2,6-bis[(2,4-dinitrophenyl)sulfanyl]-4-(4-methylphenyl)imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-bis[(2,4-dinitrophenyl)sulfanyl]-4-(4-methylphenyl)imino-cyclohexa-2,5-dien-1-one Openeye Name: 2,6-bis[(2,4-dinitrophenyl)sulfanyl]-4-(p-tolylimino)cyclohexa-2,5-dien-1-one CAS Name: 2,6-bis[(2,4-dinitrophenyl)thio]-4-(4-methylphenyl)imino-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-bis[(2,4-dinitrophenyl)sulfanyl]-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one Traditional Name: 2,6-bis[(2,4-dinitrophenyl)thio]-4-(p-tolylimino)cyclohexa-2,5-dien-1-one Formula: C25H15N5O9S2 MolecularWeight: 593.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H15N5O9S2/c1-14-2-4-15(5-3-14)26-16-10-23(40-21-8-6-17(27(32)33)12-19(21)29(36)37)25(31)24(11-16)41-22-9-7-18(28(34)35)13-20(22)30(38)39/h2-13H,1H3