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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C26H25N5OS2 MolecularWeight: 487.6396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5OS2/c1-2-22-28-29-26(34-18-19-12-6-3-7-13-19)31(22)30-25(33)27-24(32)23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,23H,2,18H2,1H3,(H2,27,30,32,33)