5-chloranyl-3,6-dimethyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]coumarilamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=C(C4=CC(=C(C=C4O3)C)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=C(C4=CC(=C(C=C4O3)C)Cl)C

InChI

InChI=1S/C21H18ClN3O2S2/c1-11-5-4-6-14(7-11)10-28-21-25-24-20(29-21)23-19(26)18-13(3)15-9-16(22)12(2)8-17(15)27-18/h4-9H,10H2,1-3H3,(H,23,24,26)