1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H12FN3O2S MolecularWeight: 329.348783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CNC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FN3O2S/c17-11-5-3-10(4-6-11)9-20-15(22)13(14(21)19-16(20)23)8-12-2-1-7-18-12/h1-8,18H,9H2,(H,19,21,23)