3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-fluorophenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O2S/c1-11(13-4-3-5-15(10-13)22(23)24)25-17-20-19-16(21(17)2)12-6-8-14(18)9-7-12/h3-11H,1-2H3