5-[(3-methylphenyl)amino]-1-sulfanyl-pentan-2-ol

Systemtic Name: 5-[(3-methylphenyl)amino]-1-sulfanyl-pentan-2-ol Openeye Name: 5-(3-methylanilino)-1-sulfanyl-pentan-2-ol CAS Name: 1-mercapto-5-(3-methylanilino)-2-pentanol IUPAC Name: 5-(3-methylanilino)-1-sulfanylpentan-2-ol Traditional Name: 1-mercapto-5-(m-toluidino)pentan-2-ol Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCCCC(CS)O

Isomeric SMILES

CC1=CC(=CC=C1)NCCCC(CS)O

InChI

InChI=1S/C12H19NOS/c1-10-4-2-5-11(8-10)13-7-3-6-12(14)9-15/h2,4-5,8,12-15H,3,6-7,9H2,1H3