2-azanyl-7-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-7-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-7-methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-5-keto-7-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)C1

Isomeric SMILES

CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)C1

InChI

InChI=1S/C18H18N2O2S/c1-10-7-14(21)17-15(8-10)22-18(20)13(9-19)16(17)11-3-5-12(23-2)6-4-11/h3-6,10,16H,7-8,20H2,1-2H3