3-(phenylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(phenylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(phenylmethylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H18N2S2/c22-13-18-16-9-4-5-10-17(16)20(19-11-6-12-24-19)23-21(18)25-14-15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,14H2