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

Systemtic Name: N-[(4-butyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(4-butyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[4-butyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(4-butyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[4-butyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N4O3S/c1-3-4-14-27-21(15-24-22(29)18-10-12-19(30-2)13-11-18)25-26-23(27)31-16-20(28)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,24,29)