1-(4-fluorophenyl)-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-fluorophenyl)-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-fluorophenyl)-5-(3-pyridinylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorophenyl)-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13FN4O2S MolecularWeight: 356.374123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN=CC2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CN=CC2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN4O2S/c18-12-3-5-13(6-4-12)22-16(24)14(15(23)21-17(22)25)10-20-9-11-2-1-7-19-8-11/h1-8,10,14H,9H2,(H,21,23,25)