2-(2-azanyl-4-bromanyl-6-ethoxy-3-methyl-phenyl)sulfanyl-3-cyclopentyl-4-ethyl-hexan-3-ol

Systemtic Name: 2-(2-azanyl-4-bromanyl-6-ethoxy-3-methyl-phenyl)sulfanyl-3-cyclopentyl-4-ethyl-hexan-3-ol Openeye Name: 2-(2-amino-4-bromo-6-ethoxy-3-methyl-phenyl)sulfanyl-3-cyclopentyl-4-ethyl-hexan-3-ol CAS Name: 2-[(2-amino-4-bromo-6-ethoxy-3-methylphenyl)thio]-3-cyclopentyl-4-ethyl-3-hexanol IUPAC Name: 2-(2-amino-4-bromo-6-ethoxy-3-methylphenyl)sulfanyl-3-cyclopentyl-4-ethylhexan-3-ol Traditional Name: 2-[(2-amino-4-bromo-6-ethoxy-3-methyl-phenyl)thio]-3-cyclopentyl-4-ethyl-hexan-3-ol Formula: C22H36BrNO2S MolecularWeight: 458.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1CCCC1)(C(C)SC2=C(C(=C(C=C2OCC)Br)C)N)O

Isomeric SMILES

CCC(CC)C(C1CCCC1)(C(C)SC2=C(C(=C(C=C2OCC)Br)C)N)O

InChI

InChI=1S/C22H36BrNO2S/c1-6-16(7-2)22(25,17-11-9-10-12-17)15(5)27-21-19(26-8-3)13-18(23)14(4)20(21)24/h13,15-17,25H,6-12,24H2,1-5H3