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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)C

InChI

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