(4aS,8aS)-1-propan-2-ylsulfanyl-8a-pyrrolidin-1-yl-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile

Systemtic Name: (4aS,8aS)-1-propan-2-ylsulfanyl-8a-pyrrolidin-1-yl-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile Openeye Name: (4aS,8aS)-1-isopropylsulfanyl-8a-pyrrolidin-1-yl-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile CAS Name: (4aS,8aS)-1-(propan-2-ylthio)-8a-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile IUPAC Name: (4aS,8aS)-1-propan-2-ylsulfanyl-8a-pyrrolidin-1-yl-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile Traditional Name: (4aS,8aS)-1-(isopropylthio)-8a-pyrrolidino-5,6,7,8-tetrahydro-4aH-isoquinoline-3-carbonitrile Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=CC2C1(CCCC2)N3CCCC3)C#N

Isomeric SMILES

CC(C)SC1=NC(=C[C@H]2[C@]1(CCCC2)N3CCCC3)C#N

InChI

InChI=1S/C17H25N3S/c1-13(2)21-16-17(20-9-5-6-10-20)8-4-3-7-14(17)11-15(12-18)19-16/h11,13-14H,3-10H2,1-2H3/t14-,17-/m0/s1