N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-(5-veratryl-1,3,4-thiadiazol-2-yl)-9H-xanthene-9-carboxamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

InChI

InChI=1S/C25H21N3O4S/c1-30-20-12-11-15(13-21(20)31-2)14-22-27-28-25(33-22)26-24(29)23-16-7-3-5-9-18(16)32-19-10-6-4-8-17(19)23/h3-13,23H,14H2,1-2H3,(H,26,28,29)