4-[4-(azepan-1-yl)butylsulfanyl]phenol

Systemtic Name: 4-[4-(azepan-1-yl)butylsulfanyl]phenol Openeye Name: 4-[4-(azepan-1-yl)butylsulfanyl]phenol CAS Name: 4-[4-(1-azepanyl)butylthio]phenol IUPAC Name: 4-[4-(azepan-1-yl)butylsulfanyl]phenol Traditional Name: 4-[4-(azepan-1-yl)butylthio]phenol Formula: C16H25NOS MolecularWeight: 279.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCSC2=CC=C(C=C2)O

Isomeric SMILES

C1CCCN(CC1)CCCCSC2=CC=C(C=C2)O

InChI

InChI=1S/C16H25NOS/c18-15-7-9-16(10-8-15)19-14-6-5-13-17-11-3-1-2-4-12-17/h7-10,18H,1-6,11-14H2