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

Systemtic Name: 5-cyclopropyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazole Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C13H14N4O2S/c1-8(10-3-2-4-11(7-10)17(18)19)20-13-14-12(15-16-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,14,15,16)