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

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C16H13Cl2N5O2S2 MolecularWeight: 442.34272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C16H13Cl2N5O2S2/c1-8-20-21-16(27-2)23(8)22-15(26)19-14(24)13-6-5-12(25-13)9-3-4-10(17)11(18)7-9/h3-7H,1-2H3,(H2,19,22,24,26)