methyl 4-[5-(4-cyanophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[5-(4-cyanophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[5-(4-cyanophenyl)-2-furyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[5-(4-cyanophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-cyanophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[5-(4-cyanophenyl)-2-furyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C18H15N3O3S/c1-10-15(17(22)23-2)16(21-18(25)20-10)14-8-7-13(24-14)12-5-3-11(9-19)4-6-12/h3-8,16H,1-2H3,(H2,20,21,25)