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

Systemtic Name: [4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-pyridin-2-yl-methanone Openeye Name: [4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-(2-pyridyl)methanone CAS Name: [4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-(2-pyridinyl)methanone IUPAC Name: [4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]-pyridin-2-ylmethanone Traditional Name: [4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-(2-pyridyl)methanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3S/c1-25(2,3)18-11-8-16(9-12-18)23-27-28-24(29(23)4)34-21-13-10-17(15-20(21)30(32)33)22(31)19-7-5-6-14-26-19/h5-15H,1-4H3