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

Systemtic Name: 3-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]-3-methyl-benzamide CAS Name: 3-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]-3-methylbenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5OS2/c1-13-7-6-10-16(11-13)17(25)20-18(26)23-24-14(2)21-22-19(24)27-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H2,20,23,25,26)