2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(3-chloro-4-methylphenyl)-2-furanyl]-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N)Cl

InChI

InChI=1S/C22H16ClN3O2S/c1-13-7-8-14(11-17(13)23)18-9-10-19(28-18)20-25-21(27)16(12-24)22(29)26(20)15-5-3-2-4-6-15/h2-11,20,29H,1H3,(H,25,27)