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

Systemtic Name: 2-(3-nitrophenyl)-3-(phenylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-nitrophenyl)-3-(phenylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C24H15N3O4S MolecularWeight: 441.4586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H15N3O4S/c28-21-18-11-4-5-12-19(18)32-23-20(21)24(29)26(14-15-7-2-1-3-8-15)22(25-23)16-9-6-10-17(13-16)27(30)31/h1-13H,14H2