2-chloranyl-3-[2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinolin-6-yl]phenol

Systemtic Name: 2-chloranyl-3-[2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinolin-6-yl]phenol Openeye Name: 2-chloro-3-[2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinolin-6-yl]phenol CAS Name: 2-chloro-3-[2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinolin-6-yl]phenol IUPAC Name: 2-chloro-3-[2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinolin-6-yl]phenol Traditional Name: 2-chloro-3-[2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinolin-6-yl]phenol Formula: C26H26ClNOS MolecularWeight: 436.00874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C(=CC=C3)O)Cl)CSCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C(=CC=C3)O)Cl)CSCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26ClNOS/c1-26(2)16-20(17-30-14-13-18-7-4-3-5-8-18)22-15-19(11-12-23(22)28-26)21-9-6-10-24(29)25(21)27/h3-12,15-16,28-29H,13-14,17H2,1-2H3