1-[[(4S,5S)-2,2-dimethyl-5-pyridin-2-ylsulfanyl-1,3-dioxolan-4-yl]methyl]indole-3-carbonitrile

Systemtic Name: 1-[[(4S,5S)-2,2-dimethyl-5-pyridin-2-ylsulfanyl-1,3-dioxolan-4-yl]methyl]indole-3-carbonitrile Openeye Name: 1-[[(4S,5S)-2,2-dimethyl-5-(2-pyridylsulfanyl)-1,3-dioxolan-4-yl]methyl]indole-3-carbonitrile CAS Name: 1-[[(4S,5S)-2,2-dimethyl-5-(2-pyridinylthio)-1,3-dioxolan-4-yl]methyl]-3-indolecarbonitrile IUPAC Name: 1-[[(4S,5S)-2,2-dimethyl-5-pyridin-2-ylsulfanyl-1,3-dioxolan-4-yl]methyl]indole-3-carbonitrile Traditional Name: 1-[[(4S,5S)-2,2-dimethyl-5-(2-pyridylthio)-1,3-dioxolan-4-yl]methyl]indole-3-carbonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)SC2=CC=CC=N2)CN3C=C(C4=CC=CC=C43)C#N)C

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)SC2=CC=CC=N2)CN3C=C(C4=CC=CC=C43)C#N)C

InChI

InChI=1S/C20H19N3O2S/c1-20(2)24-17(19(25-20)26-18-9-5-6-10-22-18)13-23-12-14(11-21)15-7-3-4-8-16(15)23/h3-10,12,17,19H,13H2,1-2H3/t17-,19-/m0/s1