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

Systemtic Name: 4-[5-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-(2-chloro-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-chloro-4-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-(2-chloro-4-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-chloro-4-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C14H10ClN5O2S MolecularWeight: 347.7795

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=NC=C3

InChI

InChI=1S/C14H10ClN5O2S/c1-19-13(9-4-6-16-7-5-9)17-18-14(19)23-12-3-2-10(20(21)22)8-11(12)15/h2-8H,1H3