3-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[3-(4-methoxy-3-methyl-phenyl)propyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-methoxy-3-methylphenyl)propyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-(4-methoxy-3-methylphenyl)propyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[3-(4-methoxy-3-methyl-phenyl)propyl]-1H-1,2,4-triazole-5-thione Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC2=NNC(=S)N2CC=C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC2=NNC(=S)N2CC=C)OC

InChI

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