hexan-1-amine; 4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazole

Systemtic Name: hexan-1-amine; 4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazole Openeye Name: hexan-1-amine; 4-(p-tolylsulfanylmethyl)oxazole CAS Name: 1-hexanamine; 4-[[(4-methylphenyl)thio]methyl]oxazole IUPAC Name: hexan-1-amine; 4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazole Traditional Name: hexylamine; 4-[(p-tolylthio)methyl]oxazole Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC=C(C=C1)SCC2=COC=N2

Isomeric SMILES

CCCCCCN.CC1=CC=C(C=C1)SCC2=COC=N2

InChI

InChI=1S/C11H11NOS.C6H15N/c1-9-2-4-11(5-3-9)14-7-10-6-13-8-12-10;1-2-3-4-5-6-7/h2-6,8H,7H2,1H3;2-7H2,1H3