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

Systemtic Name: 3,4-dicyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-dicyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3,4-dicyclopropyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 3,4-dicyclopropyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-dicyclopropyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C16H18N4O2S/c1-10(12-3-2-4-14(9-12)20(21)22)23-16-18-17-15(11-5-6-11)19(16)13-7-8-13/h2-4,9-11,13H,5-8H2,1H3