4-(4-chlorophenyl)sulfanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[(4-chlorophenyl)thio]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[(4-chlorophenyl)thio]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CC=C(C=C3)Cl)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CC=C(C=C3)Cl)O)C

InChI

InChI=1S/C18H16ClNO2S/c1-18(2)17(21)16(23-13-6-4-12(19)5-7-13)14-9-11(10-20)3-8-15(14)22-18/h3-9,16-17,21H,1-2H3