2-(2-oxidanyl-3-phenylmethoxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(2-oxidanyl-3-phenylmethoxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-phenylmethoxypropyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(3-benzoxy-2-hydroxy-propyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(COCC3=CC=CC=C3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(COCC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C20H22N2O2S/c21-11-17-10-16-8-4-5-9-19(16)22-20(17)25-14-18(23)13-24-12-15-6-2-1-3-7-15/h1-3,6-7,10,18,23H,4-5,8-9,12-14H2