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

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethyl)-5-propylsulfanyl-1,2,4-triazole Openeye Name: 3-benzyl-4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethyl)-5-(propylthio)-1,2,4-triazole IUPAC Name: 3-benzyl-4-[(4-nitrophenyl)methyl]-5-propylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-(4-nitrobenzyl)-5-(propylthio)-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-2-12-26-19-21-20-18(13-15-6-4-3-5-7-15)22(19)14-16-8-10-17(11-9-16)23(24)25/h3-11H,2,12-14H2,1H3