ethyl 4-[[2-[[4-(5-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[[4-(5-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(5-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[[4-(5-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(5-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[[4-(5-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H26ClN7O3S2 MolecularWeight: 584.11274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=C(C=CC(=C4)Cl)C)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=C(C=CC(=C4)Cl)C)C5=CC=NC=C5

InChI

InChI=1S/C26H26ClN7O3S2/c1-3-37-26(36)33-12-10-32(11-13-33)24(35)20-15-38-22(29-20)16-39-25-31-30-23(18-6-8-28-9-7-18)34(25)21-14-19(27)5-4-17(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3