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

Systemtic Name: 3-methyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]coumarilamide Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C20H17N3O2S2/c1-12-7-3-4-8-14(12)11-26-20-23-22-19(27-20)21-18(24)17-13(2)15-9-5-6-10-16(15)25-17/h3-10H,11H2,1-2H3,(H,21,22,24)