4-[5-(4-chlorophenyl)carbonyl-4-methyl-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-chlorophenyl)carbonyl-4-methyl-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-chlorobenzoyl)-4-methyl-3-(p-tolylmethyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile CAS Name: 4-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzonitrile IUPAC Name: 4-[5-(4-chlorobenzoyl)-4-methyl-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzonitrile Traditional Name: 4-[5-(4-chlorobenzoyl)-4-methyl-3-(4-methylbenzyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H22ClN3OS/c1-17-3-5-20(6-4-17)16-31-18(2)24(26(32)22-11-13-23(28)14-12-22)25(30-27(31)33)21-9-7-19(15-29)8-10-21/h3-14,25H,16H2,1-2H3,(H,30,33)