2-(2-ethenyl-1,3-dioxan-5-yl)-3-(4-methylsulfonylphenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)butane-1-thione

Systemtic Name: 2-(2-ethenyl-1,3-dioxan-5-yl)-3-(4-methylsulfonylphenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)butane-1-thione Openeye Name: 2-hydroxy-3-(4-methylsulfonylphenyl)-1-(1,2,4-triazol-1-yl)-2-(2-vinyl-1,3-dioxan-5-yl)butane-1-thione CAS Name: 2-(2-ethenyl-1,3-dioxan-5-yl)-2-hydroxy-3-(4-methylsulfonylphenyl)-1-(1,2,4-triazol-1-yl)-1-butanethione IUPAC Name: 2-(2-ethenyl-1,3-dioxan-5-yl)-2-hydroxy-3-(4-methylsulfonylphenyl)-1-(1,2,4-triazol-1-yl)butane-1-thione Traditional Name: 2-hydroxy-3-(4-mesylphenyl)-1-(1,2,4-triazol-1-yl)-2-(2-vinyl-1,3-dioxan-5-yl)butane-1-thione Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)C(C2COC(OC2)C=C)(C(=S)N3C=NC=N3)O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)C(C2COC(OC2)C=C)(C(=S)N3C=NC=N3)O

InChI

InChI=1S/C19H23N3O5S2/c1-4-17-26-9-15(10-27-17)19(23,18(28)22-12-20-11-21-22)13(2)14-5-7-16(8-6-14)29(3,24)25/h4-8,11-13,15,17,23H,1,9-10H2,2-3H3