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

Systemtic Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]pentanamide Openeye Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]pentanamide CAS Name: N-[1-[5-[(3-methoxyphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]pentanamide IUPAC Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]pentanamide Traditional Name: N-[1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]valeramide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-4-5-9-21(29)24-16(2)22-25-26-23(33-15-17-7-6-8-20(14-17)32-3)27(22)18-10-12-19(13-11-18)28(30)31/h6-8,10-14,16H,4-5,9,15H2,1-3H3,(H,24,29)