N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SC

InChI

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