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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C23H21N5O2S MolecularWeight: 431.51014

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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=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O2S/c1-23(2,3)17-11-9-16(10-12-17)21-25-26-22(27(21)18-7-5-4-6-8-18)31-20-14-13-19(15-24-20)28(29)30/h4-15H,1-3H3