1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-5-oxo-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-keto-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S2/c1-13-7-8-15(10-17(13)22)26-11-14(9-19(26)27)20(28)23-21-25-24-18(30-21)12-29-16-5-3-2-4-6-16/h2-8,10,14H,9,11-12H2,1H3,(H,23,25,28)