5-(2,2-dimethylpropanoyl)-4,6-bis(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: 5-(2,2-dimethylpropanoyl)-4,6-bis(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: 5-(2,2-dimethylpropanoyl)-4,6-bis(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: 5-(2,2-dimethyl-1-oxopropyl)-4,6-bis(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: 5-(2,2-dimethylpropanoyl)-4,6-bis(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: 4,6-bis(4-methoxyphenyl)-5-pivaloyl-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1(C(NC(=S)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)C1(C(NC(=S)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C24H27N3O3S/c1-23(2,3)21(28)24(14-25)19(15-6-10-17(29-4)11-7-15)26-22(31)27-20(24)16-8-12-18(30-5)13-9-16/h6-13,19-20H,1-5H3,(H2,26,27,31)