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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S2/c1-18-27-28-25(34-17-20-10-6-3-7-11-20)30(18)29-24(33)26-23(31)21-12-14-22(15-13-21)32-16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H2,26,29,31,33)