3-butyl-4-[(4-nitrophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-butyl-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-2-3-9-19-21-22-20(27-15-17-7-5-4-6-8-17)23(19)14-16-10-12-18(13-11-16)24(25)26/h4-8,10-13H,2-3,9,14-15H2,1H3