5-azanyl-2-methyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile

Systemtic Name: 5-azanyl-2-methyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: 5-amino-2-methyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: 5-amino-2-methyl-8-(3-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: 5-amino-2-methyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: 5-amino-2-methyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CSC=C3

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CSC=C3

InChI

InChI=1S/C17H15N5S/c1-22-4-2-12-13(7-22)15(11-3-5-23-8-11)17(9-19,10-20)14(6-18)16(12)21/h2-3,5,8,13,15H,4,7,21H2,1H3