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

Systemtic Name: 4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(3-amino-3-oxo-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(3-amino-3-keto-propyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C21H23N5O2S/c1-2-26-19(13-12-18(22)27)24-25-21(26)29-14-15-8-10-16(11-9-15)20(28)23-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H2,22,27)(H,23,28)