1-(4-methoxyphenyl)-5-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)-5-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-methoxyphenyl)-5-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S2/c1-28-17-9-7-16(8-10-17)25-12-15(11-18(25)26)19(27)22-20-23-24-21(30-20)29-13-14-5-3-2-4-6-14/h2-10,15H,11-13H2,1H3,(H,22,23,27)