[2-[[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [2-[[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-[[4-(3,4-dichlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [2-[[[4-(3,4-dichlorophenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-[[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-[[[4-(3,4-dichlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]methanone Formula: C29H25Cl2N5O2S2 MolecularWeight: 610.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=C(C=C5)Cl)Cl)C6=CC=CO6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC(=C(C=C5)Cl)Cl)C6=CC=CO6

InChI

InChI=1S/C29H25Cl2N5O2S2/c30-22-9-8-21(16-23(22)31)36-27(25-7-4-14-38-25)33-34-29(36)40-18-26-32-24(17-39-26)28(37)35-12-10-20(11-13-35)15-19-5-2-1-3-6-19/h1-9,14,16-17,20H,10-13,15,18H2