2-[[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylidene]indene-1,3-dione Openeye Name: 2-[[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylene]indane-1,3-dione CAS Name: 2-[[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylidene]indene-1,3-dione Traditional Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzylidene]indane-1,3-quinone Formula: C25H16N4O4S MolecularWeight: 468.48394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H16N4O4S/c1-28-24(16-7-3-2-4-8-16)26-27-25(28)34-21-12-11-15(14-20(21)29(32)33)13-19-22(30)17-9-5-6-10-18(17)23(19)31/h2-14H,1H3