1-ethyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-(2-morpholino-2-oxo-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[(2-keto-2-morpholino-ethyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)N3CCOCC3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)N3CCOCC3)C#N

InChI

InChI=1S/C18H23N3O2S/c1-2-16-14-6-4-3-5-13(14)15(11-19)18(20-16)24-12-17(22)21-7-9-23-10-8-21/h2-10,12H2,1H3