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

Systemtic Name: N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]hexanamide Openeye Name: N-[1-[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]hexanamide CAS Name: N-[1-[5-[(2-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]hexanamide IUPAC Name: N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]hexanamide Traditional Name: N-[1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]hexanamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3C

Isomeric SMILES

CCCCCC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3C

InChI

InChI=1S/C24H29N5O3S/c1-4-5-6-11-22(30)25-18(3)23-26-27-24(33-16-19-10-8-7-9-17(19)2)28(23)20-12-14-21(15-13-20)29(31)32/h7-10,12-15,18H,4-6,11,16H2,1-3H3,(H,25,30)