3-azanyl-2-(2-hydroxyethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(2-hydroxyethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(2-hydroxyethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-(2-hydroxyethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(2-hydroxyethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(2-hydroxyethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)CCO)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)CCO)N)C#N

InChI

InChI=1S/C12H15N3OS/c13-7-10-8-3-1-2-4-9(8)12(17)15(5-6-16)11(10)14/h16H,1-6,14H2