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

Systemtic Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-benzamide Openeye Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-3-4-13-28-21-24-23-19(25(21)17-10-6-5-7-11-17)15-22-20(26)16-9-8-12-18(14-16)27-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)