N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide

Systemtic Name: N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide CAS Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[1-[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-[1-[4-(2,5-dichlorophenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Formula: C25H28Cl2N4O2S MolecularWeight: 519.48642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)NC(=O)C4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC(=CC=C3)OC)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H28Cl2N4O2S/c1-16(28-24(32)18-8-4-3-5-9-18)23-29-30-25(31(23)22-14-19(26)11-12-21(22)27)34-15-17-7-6-10-20(13-17)33-2/h6-7,10-14,16,18H,3-5,8-9,15H2,1-2H3,(H,28,32)