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

Systemtic Name: N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-4-5-14-30-22-25-24-20(26(22)17-8-12-19(29-3)13-9-17)15-23-21(27)16-6-10-18(28-2)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)