6-azanyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(3-thienyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-thiophenyl)-1,3,8,8a-tetrahydro-2-benzopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-thiophen-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(3-thienyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CO1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3

Isomeric SMILES

C1C=C2C(CO1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3

InChI

InChI=1S/C16H12N4OS/c17-5-12-11-1-3-21-6-13(11)14(10-2-4-22-7-10)16(8-18,9-19)15(12)20/h1-2,4,7,13-14H,3,6,20H2