N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-yl-benzamide

Systemtic Name: N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-yl-benzamide Openeye Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-morpholino-benzamide CAS Name: N-[[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinyl)benzamide IUPAC Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylbenzamide Traditional Name: N-[[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-morpholino-benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H25N5O2S/c1-30-22-25-24-20(27(22)16-17-5-3-2-4-6-17)15-23-21(28)18-7-9-19(10-8-18)26-11-13-29-14-12-26/h2-10H,11-16H2,1H3,(H,23,28)