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

Systemtic Name: N-[[5-butylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[4-benzyl-5-(butylthio)-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:

CCCCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

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