5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[(4-nitrophenyl)methyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-nitrobenzyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C20H14N4O4S/c25-18-16(19(26)22-20(29)21-18)9-13-11-23(17-4-2-1-3-15(13)17)10-12-5-7-14(8-6-12)24(27)28/h1-9,11H,10H2,(H2,21,22,25,26,29)