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

Systemtic Name: 2-ethyl-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide Openeye Name: 2-ethyl-N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide CAS Name: 2-ethyl-N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]hexanamide IUPAC Name: 2-ethyl-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]hexanamide Traditional Name: 2-ethyl-N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide Formula: C32H37N5O3S MolecularWeight: 571.73288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC(=C4)C

Isomeric SMILES

CCCCC(CC)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC(=C4)C

InChI

InChI=1S/C32H37N5O3S/c1-4-6-15-26(5-2)31(38)33-29(21-24-12-8-7-9-13-24)30-34-35-32(41-22-25-14-10-11-23(3)20-25)36(30)27-16-18-28(19-17-27)37(39)40/h7-14,16-20,26,29H,4-6,15,21-22H2,1-3H3,(H,33,38)