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

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C22H27N5OS/c1-3-27(4-2)14-18-7-5-17(6-8-18)13-23-21(28)20-11-9-19(10-12-20)15-29-22-24-16-25-26-22/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,25,26)