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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c1-28-17-12-6-5-10-15(17)18-22-23-20(24(18)14-8-3-2-4-9-14)29-19-16(25(26)27)11-7-13-21-19/h2-13H,1H3