2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-5-nitro-pyridine Formula: C19H13ClN5O2S+ MolecularWeight: 410.85682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H12ClN5O2S/c20-14-8-6-13(7-9-14)18-22-23-19(24(18)15-4-2-1-3-5-15)28-17-11-10-16(12-21-17)25(26)27/h1-12H/p+1