[2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(2-chlorophenyl)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-(2-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxazol-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone CAS Name: [2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolyl]-[4-(2-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone Traditional Name: [2-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]oxazol-4-yl]-[4-(2-chlorophenyl)piperazino]methanone Formula: C29H24Cl2N6O2S MolecularWeight: 591.51086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=COC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=COC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6Cl

InChI

InChI=1S/C29H24Cl2N6O2S/c30-22-11-5-4-10-21(22)27-33-34-29(37(27)20-8-2-1-3-9-20)40-19-26-32-24(18-39-26)28(38)36-16-14-35(15-17-36)25-13-7-6-12-23(25)31/h1-13,18H,14-17,19H2