4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H21N5O2S/c1-25-18(12-11-17(21)26)23-24-20(25)28-13-14-7-9-15(10-8-14)19(27)22-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,21,26)(H,22,27)