2-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butan-1-amine hydrochloride

Systemtic Name: 2-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butan-1-amine hydrochloride Openeye Name: 1-[5-[(E)-cinnamyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methyl-butan-1-amine hydrochloride CAS Name: 2-methyl-1-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-oxadiazol-2-yl]-1-butanamine hydrochloride IUPAC Name: 2-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]butan-1-amine hydrochloride Traditional Name: [1-[5-[[(E)-cinnamyl]thio]-1,3,4-oxadiazol-2-yl]-2-methyl-butyl]amine hydrochloride Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NN=C(O1)SCC=CC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCC(C)C(C1=NN=C(O1)SC/C=C/C2=CC=CC=C2)N.Cl

InChI

InChI=1S/C16H21N3OS.ClH/c1-3-12(2)14(17)15-18-19-16(20-15)21-11-7-10-13-8-5-4-6-9-13;/h4-10,12,14H,3,11,17H2,1-2H3;1H/b10-7+;