4-tert-butyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C23H27N5OS2 MolecularWeight: 453.62338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS2/c1-5-19-25-26-22(31-15-16-9-7-6-8-10-16)28(19)27-21(30)24-20(29)17-11-13-18(14-12-17)23(2,3)4/h6-14H,5,15H2,1-4H3,(H2,24,27,29,30)