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

Systemtic Name: 3-chloranyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C20H20ClN5OS2 MolecularWeight: 445.9887

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)C)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)C)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN5OS2/c1-3-17-23-24-20(29-12-14-7-5-4-6-8-14)26(17)25-19(28)22-18(27)15-10-9-13(2)16(21)11-15/h4-11H,3,12H2,1-2H3,(H2,22,25,27,28)