4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-ethoxy-3-methoxyphenyl)-6-phenyl-N-(2-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-ethoxy-3-methoxyphenyl)-6-phenyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=[NH+]4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C25H24N4O3S/c1-3-32-18-13-12-17(15-19(18)31-2)23-21(24(30)27-20-11-7-8-14-26-20)22(28-25(33)29-23)16-9-5-4-6-10-16/h4-15,23H,3H2,1-2H3,(H,26,27,30)(H2,28,29,33)/p+1