4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-methoxy-5-nitro-benzyl)thio]-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=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O3S/c1-3-10-22-17(13-6-8-19-9-7-13)20-21-18(22)27-12-14-11-15(23(24)25)4-5-16(14)26-2/h4-9,11H,3,10,12H2,1-2H3