N-(4-methoxyphenyl)-5-[(2-oxidanylidene-4-propyl-chromen-7-yl)oxymethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-5-[(2-oxidanylidene-4-propyl-chromen-7-yl)oxymethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-methoxyphenyl)-5-[(2-oxo-4-propyl-chromen-7-yl)oxymethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methoxyphenyl)-5-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxymethyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methoxyphenyl)-5-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(2-keto-4-propyl-chromen-7-yl)oxymethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21N3O5S/c1-3-4-14-11-21(27)31-19-12-17(9-10-18(14)19)30-13-20-25-26-23(32-20)22(28)24-15-5-7-16(29-2)8-6-15/h5-12H,3-4,13H2,1-2H3,(H,24,28)