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

Systemtic Name: 3-butoxy-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]-3-butoxy-benzamide CAS Name: 3-butoxy-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]-3-butoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-butoxy-benzamide Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

InChI

InChI=1S/C23H27N5O2S2/c1-3-5-14-30-19-13-9-12-18(15-19)21(29)24-22(31)27-28-20(4-2)25-26-23(28)32-16-17-10-7-6-8-11-17/h6-13,15H,3-5,14,16H2,1-2H3,(H2,24,27,29,31)