4-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C15H12ClN5O2S/c1-20-14(10-5-7-17-8-6-10)18-19-15(20)24-9-11-12(16)3-2-4-13(11)21(22)23/h2-8H,9H2,1H3