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

Systemtic Name: 4-butoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-butoxy-benzamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S2/c1-3-4-14-29-19-12-10-18(11-13-19)20(28)23-21(30)26-27-16(2)24-25-22(27)31-15-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H2,23,26,28,30)