4-[[5-[1-(dimethylamino)propyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-[1-(dimethylamino)propyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-benzyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-[1-(dimethylamino)propyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-benzyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-benzyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N(C)C

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N(C)C

InChI

InChI=1S/C28H31N5OS/c1-4-25(32(2)3)26-30-31-28(33(26)19-21-11-7-5-8-12-21)35-20-22-15-17-23(18-16-22)27(34)29-24-13-9-6-10-14-24/h5-18,25H,4,19-20H2,1-3H3,(H,29,34)