2-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]acetamide Formula: C13H14ClN5OS2 MolecularWeight: 355.86616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C13H14ClN5OS2/c1-8-16-17-13(22-2)19(8)18-12(21)15-11(20)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H2,15,18,20,21)