1-piperidin-1-yl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-piperidin-1-yl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(1-piperidyl)-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(1-piperidinyl)-3-(propylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-piperidin-1-yl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-piperidino-3-(propylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C18H25N3S/c1-2-12-22-18-16(13-19)14-8-4-5-9-15(14)17(20-18)21-10-6-3-7-11-21/h2-12H2,1H3