3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-(4-methoxyphenyl)propyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CCCC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NNC1=S)CCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17N3OS/c1-16-12(14-15-13(16)18)5-3-4-10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,15,18)