N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-chlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[4-(2-chlorophenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(2-chlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C25H18ClN5O4S2 MolecularWeight: 552.02452

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5Cl)C6=CC=CO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5Cl)C6=CC=CO6

InChI

InChI=1S/C25H18ClN5O4S2/c26-16-4-1-2-5-18(16)31-23(20-6-3-9-33-20)29-30-25(31)37-13-22-28-17(12-36-22)24(32)27-11-15-7-8-19-21(10-15)35-14-34-19/h1-10,12H,11,13-14H2,(H,27,32)