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

Systemtic Name: N-[[4-butyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[(5-benzylsulfanyl-4-butyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[4-butyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-benzylsulfanyl-4-butyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[5-(benzylthio)-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-4-14-26-20(15-23-21(27)18-10-12-19(28-2)13-11-18)24-25-22(26)29-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)