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

Systemtic Name: 3-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]acrylamide Formula: C14H14ClN5OS2 MolecularWeight: 367.87686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5OS2/c1-9-17-18-14(23-2)20(9)19-13(22)16-12(21)8-5-10-3-6-11(15)7-4-10/h3-8H,1-2H3,(H2,16,19,21,22)