2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-nitrophenyl)-3-(1-phenylethyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S/c1-15(16-7-3-2-4-8-16)27-23(17-11-13-18(14-12-17)28(31)32)26-24-21(25(27)30)22(29)19-9-5-6-10-20(19)33-24/h2-15H,1H3