5-[3-(4-chloranyl-2-methyl-phenoxy)propyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[3-(4-chloranyl-2-methyl-phenoxy)propyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[3-(4-chloro-2-methyl-phenoxy)propyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[3-(4-chloro-2-methylphenoxy)propyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[3-(4-chloro-2-methylphenoxy)propyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[3-(4-chloro-2-methyl-phenoxy)propyl]-1,2,4-triazole-3-thiolate Formula: C15H17ClN3OS- MolecularWeight: 322.83298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC2=NN=C(N2CC=C)[S-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC2=NN=C(N2CC=C)[S-]

InChI

InChI=1S/C15H18ClN3OS/c1-3-8-19-14(17-18-15(19)21)5-4-9-20-13-7-6-12(16)10-11(13)2/h3,6-7,10H,1,4-5,8-9H2,2H3,(H,18,21)/p-1