N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)OC

InChI

InChI=1S/C22H26N4O3S/c1-3-4-11-29-19-10-7-17(12-20(19)28-2)13-23-21(27)18-8-5-16(6-9-18)14-30-22-24-15-25-26-22/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,23,27)(H,24,25,26)