4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[2-(3-nitrophenoxy)ethylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C18H18N4O3S2/c23-22(24)14-3-1-4-15(11-14)25-8-10-27-18-20-19-17(21(18)13-6-7-13)12-16-5-2-9-26-16/h1-5,9,11,13H,6-8,10,12H2