4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O3S/c1-2-10-22-17(14-6-8-19-9-7-14)20-21-18(22)27-12-11-26-16-5-3-4-15(13-16)23(24)25/h3-9,13H,2,10-12H2,1H3