4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-methoxypropyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)COC2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=NNC1=S)COC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S/c1-17-9-5-8-16-12(14-15-13(16)19)10-18-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,19)