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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]coumarilamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S2/c1-2-18-23-24-21(30-13-14-8-4-3-5-9-14)26(18)25-20(29)22-19(27)17-12-15-10-6-7-11-16(15)28-17/h3-12H,2,13H2,1H3,(H2,22,25,27,29)