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

Systemtic Name: 3,4-dimethyl-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]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-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]-3,4-dimethylbenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-13-9-10-17(11-14(13)2)18(26)21-19(27)24-25-15(3)22-23-20(25)28-12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H2,21,24,26,27)