2-azanyl-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(4-chlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)CSC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)CSC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H27ClN2O2S/c1-15-9-16(2)20(10-17(15)14-33-19-7-5-18(28)6-8-19)24-21(13-29)26(30)32-23-12-27(3,4)11-22(31)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3