6-azanyl-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(p-tolyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-methylphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(p-tolyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C19H16N4S MolecularWeight: 332.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,16-17H,7,9,23H2,1H3