2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-dinitro-pyridine

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-dinitro-pyridine Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-dinitro-pyridine CAS Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,5-dinitropyridine IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-dinitropyridine Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,5-dinitro-pyridine Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=N4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=N4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4S/c1-23(2,3)16-11-9-15(10-12-16)20-25-26-22(27(20)17-7-5-4-6-8-17)34-21-19(29(32)33)13-18(14-24-21)28(30)31/h4-14H,1-3H3