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

Systemtic Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide CAS Name: N-[1-[5-[(3-methoxyphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-[1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC(=CC=C3)OC)NC(=O)C4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC(=CC=C3)OC)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H29N5O4S/c1-17(26-24(31)19-8-4-3-5-9-19)23-27-28-25(35-16-18-7-6-10-22(15-18)34-2)29(23)20-11-13-21(14-12-20)30(32)33/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3,(H,26,31)