3-chloranyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C14H16ClN5OS2 MolecularWeight: 369.89274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5OS2/c1-4-23-14-18-17-9(3)20(14)19-13(22)16-12(21)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H2,16,19,21,22)