N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C21H25N5OS/c1-26(2)19(12-16-6-4-3-5-7-16)13-22-20(27)18-10-8-17(9-11-18)14-28-21-23-15-24-25-21/h3-11,15,19H,12-14H2,1-2H3,(H,22,27)(H,23,24,25)/t19-/m0/s1