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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C26H25N5O2S2 MolecularWeight: 503.639

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O2S2/c1-2-23-28-29-26(35-18-20-11-7-4-8-12-20)31(23)30-25(34)27-24(32)21-13-15-22(16-14-21)33-17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H2,27,30,32,34)