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

Systemtic Name: 4-(3-methylbutyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isopentyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methylbutyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylbutyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isoamyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NNC1=S)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NNC1=S)COC2=CC=CC=C2

InChI

InChI=1S/C14H19N3OS/c1-11(2)8-9-17-13(15-16-14(17)19)10-18-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)