N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]dodecanamide

Systemtic Name: N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]dodecanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]dodecanamide CAS Name: N-[1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]dodecanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]dodecanamide Traditional Name: N-[1-[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]lauramide Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O3S/c1-3-4-5-6-7-8-9-10-14-17-27(35)30-23(2)28-31-32-29(38-22-24-15-12-11-13-16-24)33(28)25-18-20-26(21-19-25)34(36)37/h11-13,15-16,18-21,23H,3-10,14,17,22H2,1-2H3,(H,30,35)