3-azanyl-2-[2-(2-hydroxyethyloxy)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-[2-(2-hydroxyethyloxy)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-[2-(2-hydroxyethoxy)ethyl]-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-[2-(2-hydroxyethoxy)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-[2-(2-hydroxyethoxy)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-[2-(2-hydroxyethoxy)ethyl]-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c15-9-12-10-3-1-2-4-11(10)14(20)17(13(12)16)5-7-19-8-6-18/h18H,1-8,16H2