[4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone

Systemtic Name: [4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Openeye Name: [4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone CAS Name: [4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone IUPAC Name: [4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone Traditional Name: [4-(3-ethoxy-4-propargyloxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)OCC#C

InChI

InChI=1S/C28H24N2O3S/c1-3-17-33-22-16-15-21(18-23(22)32-4-2)26-24(27(31)20-13-9-6-10-14-20)25(29-28(34)30-26)19-11-7-5-8-12-19/h1,5-16,18,26H,4,17H2,2H3,(H2,29,30,34)