3-[1-(3-nitrophenyl)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[1-(3-nitrophenyl)ethylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-5-phenyl-1H-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c1-11(13-8-5-9-14(10-13)20(21)22)23-16-17-15(18-19-16)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,18,19)