2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C21H21ClN4O2S MolecularWeight: 428.93504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-15-7-8-17(18(22)13-15)20-23-24-21(26(20)16-5-3-2-4-6-16)29-14-19(27)25-9-11-28-12-10-25/h2-8,13H,9-12,14H2,1H3