1-[2-(2-phenyl-1,3-thiazol-4-yl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile

Systemtic Name: 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile Openeye Name: 1-[2-(2-phenylthiazol-4-yl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile CAS Name: 1-[2-(2-phenyl-4-thiazolyl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile IUPAC Name: 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile Traditional Name: 1-[2-(2-phenylthiazol-4-yl)ethylsulfinyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonitrile Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)S(=O)CCC3=CSC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)S(=O)CCC3=CSC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H19N3OS2/c22-13-18-12-16-8-4-5-9-19(16)21(24-18)27(25)11-10-17-14-26-20(23-17)15-6-2-1-3-7-15/h1-9,14,18,21,24H,10-12H2