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

Systemtic Name: 2,2-dimethyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]propanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C(C)(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C(C)(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS2/c1-11-18-19-15(24-10-12-8-6-5-7-9-12)21(11)20-14(23)17-13(22)16(2,3)4/h5-9H,10H2,1-4H3,(H2,17,20,22,23)