5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C18H14N4O4S/c1-2-9-21-17(24)15(16(23)19-18(21)27)11-14-4-3-10-20(14)12-5-7-13(8-6-12)22(25)26/h2-8,10-11H,1,9H2,(H,19,23,27)