4-ethyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-ethyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[2-(3-nitrophenoxy)ethylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-ethyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-ethyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-2-22-18(13-15-7-4-3-5-8-15)20-21-19(22)27-12-11-26-17-10-6-9-16(14-17)23(24)25/h3-10,14H,2,11-13H2,1H3