4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NNC(=S)N1C2C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c1-21-30-31-29(37)32(21)28-27(35-19-24-15-9-4-10-16-24)26(34-18-23-13-7-3-8-14-23)25(36-28)20-33-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3,(H,31,37)