[2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxazol-4-yl]methanone CAS Name: [2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]oxazol-4-yl]methanone Formula: C36H31ClN6O2S MolecularWeight: 647.18834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=COC(=N4)CSC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC=C7Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=COC(=N4)CSC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC=C7Cl

InChI

InChI=1S/C36H31ClN6O2S/c37-30-19-11-10-18-29(30)34-39-40-36(43(34)28-16-8-3-9-17-28)46-25-32-38-31(24-45-32)35(44)42-22-20-41(21-23-42)33(26-12-4-1-5-13-26)27-14-6-2-7-15-27/h1-19,24,33H,20-23,25H2