[2-[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-[[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-[[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C31H29ClN6O2S2 MolecularWeight: 617.18396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=CC=C5)Cl)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=CC=C5)Cl)CC6=CC=CC=C6

InChI

InChI=1S/C31H29ClN6O2S2/c1-40-26-12-10-24(11-13-26)36-14-16-37(17-15-36)30(39)27-20-41-29(33-27)21-42-31-35-34-28(18-22-6-3-2-4-7-22)38(31)25-9-5-8-23(32)19-25/h2-13,19-20H,14-18,21H2,1H3