butan-1-amine; 2-(3-methyl-4-propan-2-ylsulfanyl-phenyl)ethanol

Systemtic Name: butan-1-amine; 2-(3-methyl-4-propan-2-ylsulfanyl-phenyl)ethanol Openeye Name: butan-1-amine; 2-(4-isopropylsulfanyl-3-methyl-phenyl)ethanol CAS Name: 1-butanamine; 2-[3-methyl-4-(propan-2-ylthio)phenyl]ethanol IUPAC Name: butan-1-amine; 2-(3-methyl-4-propan-2-ylsulfanylphenyl)ethanol Traditional Name: butylamine; 2-[4-(isopropylthio)-3-methyl-phenyl]ethanol Formula: C16H29NOS MolecularWeight: 283.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC1=C(C=CC(=C1)CCO)SC(C)C

Isomeric SMILES

CCCCN.CC1=C(C=CC(=C1)CCO)SC(C)C

InChI

InChI=1S/C12H18OS.C4H11N/c1-9(2)14-12-5-4-11(6-7-13)8-10(12)3;1-2-3-4-5/h4-5,8-9,13H,6-7H2,1-3H3;2-5H2,1H3