2-[2-[3-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-(cyclopropylmethylsulfanyl)propyl]phenyl]propan-2-ol; ethanenitrile

Systemtic Name: 2-[2-[3-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-(cyclopropylmethylsulfanyl)propyl]phenyl]propan-2-ol; ethanenitrile Openeye Name: acetonitrile; 2-[2-[3-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-(cyclopropylmethylsulfanyl)propyl]phenyl]propan-2-ol CAS Name: acetonitrile; 2-[2-[3-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-(cyclopropylmethylthio)propyl]phenyl]-2-propanol IUPAC Name: acetonitrile; 2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(cyclopropylmethylsulfanyl)propyl]phenyl]propan-2-ol Traditional Name: acetonitrile; 2-[2-[3-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-(cyclopropylmethylthio)propyl]phenyl]propan-2-ol Formula: C35H37ClN2OS MolecularWeight: 569.19908

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5CC5)O

Isomeric SMILES

CC#N.CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5CC5)O

InChI

InChI=1S/C33H34ClNOS.C2H3N/c1-33(2,36)30-9-4-3-7-25(30)15-19-32(37-22-24-10-11-24)27-8-5-6-23(20-27)12-17-29-18-14-26-13-16-28(34)21-31(26)35-29;1-2-3/h3-9,12-14,16-18,20-21,24,32,36H,10-11,15,19,22H2,1-2H3;1H3/b17-12+;