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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]coumarilamide Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)SC

InChI

InChI=1S/C14H13N5O2S2/c1-8-16-17-14(23-2)19(8)18-13(22)15-12(20)11-7-9-5-3-4-6-10(9)21-11/h3-7H,1-2H3,(H2,15,18,20,22)