6-azanyl-8-(2-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Openeye Name: 6-amino-8-(2-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile CAS Name: 6-amino-8-(2-chlorophenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,5,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Traditional Name: 6-amino-8-(2-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Formula: C18H13ClN4S MolecularWeight: 352.84062

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CS1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1C=C2C(CS1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H13ClN4S/c19-15-4-2-1-3-11(15)16-12(7-20)17(23)18(9-21,10-22)14-5-6-24-8-13(14)16/h1-5,13,16H,6,8,23H2