2-azanyl-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]benzenethiol

Systemtic Name: 2-azanyl-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]benzenethiol Openeye Name: 2-amino-3-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]benzenethiol CAS Name: 2-amino-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]benzenethiol IUPAC Name: 2-amino-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]benzenethiol Traditional Name: 2-amino-3-[2-(2,4-ditert-amylphenoxy)butyl]benzenethiol Formula: C26H39NOS MolecularWeight: 413.65896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=CC=C1)S)N)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(CC1=C(C(=CC=C1)S)N)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C26H39NOS/c1-8-20(16-18-12-11-13-23(29)24(18)27)28-22-15-14-19(25(4,5)9-2)17-21(22)26(6,7)10-3/h11-15,17,20,29H,8-10,16,27H2,1-7H3