3-(2-oxidanyl-1-propoxy-octan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-oxidanyl-1-propoxy-octan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[1-(2-hydroxy-3-propoxy-propyl)pentyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-hydroxy-1-propoxyoctan-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[1-(2-hydroxy-3-propoxy-propyl)pentyl]-1H-1,2,4-triazole-5-thione Formula: C16H29N3O2S MolecularWeight: 327.48536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(COCCC)O)C1=NNC(=S)N1CC=C

Isomeric SMILES

CCCCC(CC(COCCC)O)C1=NNC(=S)N1CC=C

InChI

InChI=1S/C16H29N3O2S/c1-4-7-8-13(11-14(20)12-21-10-6-3)15-17-18-16(22)19(15)9-5-2/h5,13-14,20H,2,4,6-12H2,1,3H3,(H,18,22)