(8S,8aS)-6-azanylidene-2-methyl-8-thiophen-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanylidene-2-methyl-8-thiophen-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-imino-2-methyl-8-(3-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-imino-2-methyl-8-(3-thiophenyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-imino-2-methyl-8-thiophen-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-imino-2-methyl-8-(3-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CSC=C3

InChI

InChI=1S/C17H15N5S/c1-22-4-2-12-13(6-18)16(21)17(9-19,10-20)15(14(12)7-22)11-3-5-23-8-11/h2-3,5,8,13-15,21H,4,7H2,1H3/t13?,14-,15+/m1/s1