2-[5-chloranyl-3-[2-(oxan-2-yloxy)ethylsulfanyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-3-[2-(oxan-2-yloxy)ethylsulfanyl]indol-1-yl]ethanenitrile Openeye Name: 2-[5-chloro-3-(2-tetrahydropyran-2-yloxyethylsulfanyl)indol-1-yl]acetonitrile CAS Name: 2-[5-chloro-3-[2-(2-oxanyloxy)ethylthio]-1-indolyl]acetonitrile IUPAC Name: 2-[5-chloro-3-[2-(oxan-2-yloxy)ethylsulfanyl]indol-1-yl]acetonitrile Traditional Name: 2-[5-chloro-3-(2-tetrahydropyran-2-yloxyethylthio)indol-1-yl]acetonitrile Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCSC2=CN(C3=C2C=C(C=C3)Cl)CC#N

Isomeric SMILES

C1CCOC(C1)OCCSC2=CN(C3=C2C=C(C=C3)Cl)CC#N

InChI

InChI=1S/C17H19ClN2O2S/c18-13-4-5-15-14(11-13)16(12-20(15)7-6-19)23-10-9-22-17-3-1-2-8-21-17/h4-5,11-12,17H,1-3,7-10H2