1-[6-propoxy-5-[3-sulfanyl-3-(1,2,4-triazol-1-yl)propoxy]cyclohexa-1,5-dien-1-yl]sulfonylpropan-2-ol

Systemtic Name: 1-[6-propoxy-5-[3-sulfanyl-3-(1,2,4-triazol-1-yl)propoxy]cyclohexa-1,5-dien-1-yl]sulfonylpropan-2-ol Openeye Name: 1-[6-propoxy-5-[3-sulfanyl-3-(1,2,4-triazol-1-yl)propoxy]cyclohexa-1,5-dien-1-yl]sulfonylpropan-2-ol CAS Name: 1-[[5-[3-mercapto-3-(1,2,4-triazol-1-yl)propoxy]-6-propoxy-1-cyclohexa-1,5-dienyl]sulfonyl]-2-propanol IUPAC Name: 1-[6-propoxy-5-[3-sulfanyl-3-(1,2,4-triazol-1-yl)propoxy]cyclohexa-1,5-dien-1-yl]sulfonylpropan-2-ol Traditional Name: 1-[5-[3-mercapto-3-(1,2,4-triazol-1-yl)propoxy]-6-propoxy-cyclohexa-1,5-dien-1-yl]sulfonylpropan-2-ol Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(CCC=C1S(=O)(=O)CC(C)O)OCCC(N2C=NC=N2)S

Isomeric SMILES

CCCOC1=C(CCC=C1S(=O)(=O)CC(C)O)OCCC(N2C=NC=N2)S

InChI

InChI=1S/C17H27N3O5S2/c1-3-8-25-17-14(24-9-7-16(26)20-12-18-11-19-20)5-4-6-15(17)27(22,23)10-13(2)21/h6,11-13,16,21,26H,3-5,7-10H2,1-2H3