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

Systemtic Name: 4-[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-methyl-3-nitrophenyl)methylthio]-4-propyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-methyl-3-nitro-benzyl)thio]-4-propyl-1,2,4-triazol-3-yl]pyridine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-3-11-22-17(14-7-9-19-10-8-14)20-21-18(22)26-12-15-5-4-6-16(13(15)2)23(24)25/h4-10H,3,11-12H2,1-2H3