4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chlorophenyl)-3-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-11(12-4-2-7-15(8-12)21(22)23)24-16-19-18-10-20(16)14-6-3-5-13(17)9-14/h2-11H,1H3