6-nitro-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C20H12N6O2S2 MolecularWeight: 432.47828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=N5

InChI

InChI=1S/C20H12N6O2S2/c27-26(28)14-9-10-15-17(12-14)29-20(22-15)30-19-24-23-18(16-8-4-5-11-21-16)25(19)13-6-2-1-3-7-13/h1-12H