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

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-(phenylsulfanylmethyl)-5-propylsulfanyl-1,2,4-triazole Openeye Name: 4-[(4-nitrophenyl)methyl]-3-(phenylsulfanylmethyl)-5-propylsulfanyl-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-[(phenylthio)methyl]-5-(propylthio)-1,2,4-triazole IUPAC Name: 4-[(4-nitrophenyl)methyl]-3-(phenylsulfanylmethyl)-5-propylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-nitrobenzyl)-3-[(phenylthio)methyl]-5-(propylthio)-1,2,4-triazole Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S2/c1-2-12-26-19-21-20-18(14-27-17-6-4-3-5-7-17)22(19)13-15-8-10-16(11-9-15)23(24)25/h3-11H,2,12-14H2,1H3