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

Systemtic Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]dodecanamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]dodecanamide CAS Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]dodecanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]dodecanamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]lauramide Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C28H37N5O3S/c1-2-3-4-5-6-7-8-9-13-16-27(34)29-21-26-30-31-28(37-22-23-14-11-10-12-15-23)32(26)24-17-19-25(20-18-24)33(35)36/h10-12,14-15,17-20H,2-9,13,16,21-22H2,1H3,(H,29,34)