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

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C17H15Cl2N5O2S2 MolecularWeight: 456.3693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N5O2S2/c1-3-28-17-22-21-9(2)24(17)23-16(27)20-15(25)14-7-6-13(26-14)10-4-5-11(18)12(19)8-10/h4-8H,3H2,1-2H3,(H2,20,23,25,27)