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

Systemtic Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-1,2,4-triazole Openeye Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-1,2,4-triazole CAS Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-(phenylthio)-1,2,4-triazole IUPAC Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-1,2,4-triazole Traditional Name: 3-butyl-4-(4-nitrobenzyl)-5-(phenylthio)-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-2-3-9-18-20-21-19(26-17-7-5-4-6-8-17)22(18)14-15-10-12-16(13-11-15)23(24)25/h4-8,10-13H,2-3,9,14H2,1H3