3-[(4S,6R)-7-butoxy-6-oxidanyl-hept-1-en-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4S,6R)-7-butoxy-6-oxidanyl-hept-1-en-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(1S)-1-[(2R)-3-butoxy-2-hydroxy-propyl]but-3-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4S,6R)-7-butoxy-6-hydroxyhept-1-en-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4S,6R)-7-butoxy-6-hydroxyhept-1-en-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(1S)-1-[(2R)-3-butoxy-2-hydroxy-propyl]but-3-enyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CC(CC=C)C1=NNC(=S)N1C2=CC=CC=C2)O

Isomeric SMILES

CCCCOC[C@@H](C[C@H](CC=C)C1=NNC(=S)N1C2=CC=CC=C2)O

InChI

InChI=1S/C19H27N3O2S/c1-3-5-12-24-14-17(23)13-15(9-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h4,6-8,10-11,15,17,23H,2-3,5,9,12-14H2,1H3,(H,21,25)/t15-,17+/m0/s1