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

Systemtic Name: 2-(3-nitrophenyl)-3-prop-2-enyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-allyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-nitrophenyl)-3-prop-2-enylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-nitrophenyl)-3-prop-2-enylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-allyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O4S/c1-2-10-22-18(12-6-5-7-13(11-12)23(26)27)21-19-16(20(22)25)17(24)14-8-3-4-9-15(14)28-19/h2-9,11H,1,10H2