2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: 2-[[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C31H28Cl2N6OS2 MolecularWeight: 635.62962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CC6=CC=CC=C6

InChI

InChI=1S/C31H28Cl2N6OS2/c32-24-11-5-4-10-23(24)29-36-37-31(39(29)27-13-7-6-12-25(27)33)42-20-28-35-26(19-41-28)30(40)34-22-14-16-38(17-15-22)18-21-8-2-1-3-9-21/h1-13,19,22H,14-18,20H2,(H,34,40)