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

Systemtic Name: 3-butoxy-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-butoxy-benzamide CAS Name: 3-butoxy-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-butoxybenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-butoxy-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-3-4-13-27-19-12-8-11-18(14-19)20(26)24-25-16(2)22-23-21(25)28-15-17-9-6-5-7-10-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)