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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C11H13N5O2S2 MolecularWeight: 311.38322

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CO2)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CO2)C

InChI

InChI=1S/C11H13N5O2S2/c1-3-20-11-14-13-7(2)16(11)15-10(19)12-9(17)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H2,12,15,17,19)