5-azanyl-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-azanyl-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-amino-3-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-1,3,4-thiadiazole-2-thione CAS Name: 5-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-amino-3-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-1,3,4-thiadiazole-2-thione Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C(=S)SC(=N3)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C(=S)SC(=N3)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4S2/c29-27-30-31(28(36)37-27)26-25(34-18-22-14-8-3-9-15-22)24(33-17-21-12-6-2-7-13-21)23(35-26)19-32-16-20-10-4-1-5-11-20/h1-15,23-26H,16-19H2,(H2,29,30)