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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

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