4-(2-chlorophenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: 4-(2-chlorophenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: 4-(2-chlorophenyl)-6-methylene-N-pyridin-1-ium-2-yl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: 4-(2-chlorophenyl)-6-methylene-N-(2-pyridin-1-iumyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: 4-(2-chlorophenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: 4-(2-chlorophenyl)-6-methylene-N-pyridin-1-ium-2-yl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C17H16ClN4OS+ MolecularWeight: 359.85314

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

C=C1C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H15ClN4OS/c1-10-14(16(23)21-13-8-4-5-9-19-13)15(22-17(24)20-10)11-6-2-3-7-12(11)18/h2-9,14-15H,1H2,(H,19,21,23)(H2,20,22,24)/p+1