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

Systemtic Name: 2-chloranyl-4-methyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: 2-chloro-4-methyl-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C19H18ClN5OS2 MolecularWeight: 431.96212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C19H18ClN5OS2/c1-12-8-9-15(16(20)10-12)17(26)21-18(27)24-25-13(2)22-23-19(25)28-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,21,24,26,27)