5-morpholin-4-yl-2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-1-carbonitrile

Systemtic Name: 5-morpholin-4-yl-2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-1-carbonitrile Openeye Name: 2-benzylsulfanyl-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-1-carbonitrile CAS Name: 5-(4-morpholinyl)-2-(phenylmethylthio)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-1-carbonitrile IUPAC Name: 2-benzylsulfanyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-1-carbonitrile Traditional Name: 2-(benzylthio)-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-1-carbonitrile Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)SCC4=CC=CC=C4)C#N)N5CCOCC5

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)SCC4=CC=CC=C4)C#N)N5CCOCC5

InChI

InChI=1S/C23H23N3OS2/c24-14-19-20-17-8-4-5-9-18(17)21(26-10-12-27-13-11-26)25-22(20)29-23(19)28-15-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-13,15H2