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

Systemtic Name: 4-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-chloro-6-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(2-chloro-6-nitro-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C20H14ClN5O2S MolecularWeight: 423.87546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C20H14ClN5O2S/c21-17-7-4-8-18(26(27)28)16(17)13-29-20-24-23-19(14-9-11-22-12-10-14)25(20)15-5-2-1-3-6-15/h1-12H,13H2