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

Systemtic Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-4-5-12-29-22-25-24-20(26(22)18-10-6-8-16(2)13-18)15-23-21(27)17-9-7-11-19(14-17)28-3/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,23,27)