4-[(4-nitrophenyl)methyl]-3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazole

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazole Openeye Name: 4-[(4-nitrophenyl)methyl]-3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-(3-phenylpropyl)-5-(propylthio)-1,2,4-triazole IUPAC Name: 4-[(4-nitrophenyl)methyl]-3-(3-phenylpropyl)-5-propylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-nitrobenzyl)-3-(3-phenylpropyl)-5-(propylthio)-1,2,4-triazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-15-28-21-23-22-20(10-6-9-17-7-4-3-5-8-17)24(21)16-18-11-13-19(14-12-18)25(26)27/h3-5,7-8,11-14H,2,6,9-10,15-16H2,1H3