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

Systemtic Name: 5-(3-chlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C17H16ClN5O2S2 MolecularWeight: 421.92424

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C17H16ClN5O2S2/c1-3-27-17-21-20-10(2)23(17)22-16(26)19-15(24)14-8-7-13(25-14)11-5-4-6-12(18)9-11/h4-9H,3H2,1-2H3,(H2,19,22,24,26)