3-(4-tert-butylphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2,4-dinitrophenyl)thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2,4-dinitrophenyl)thio]-4-phenyl-1,2,4-triazole Formula: C24H21N5O4S MolecularWeight: 475.51964

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

InChI

InChI=1S/C24H21N5O4S/c1-24(2,3)17-11-9-16(10-12-17)22-25-26-23(27(22)18-7-5-4-6-8-18)34-21-14-13-19(28(30)31)15-20(21)29(32)33/h4-15H,1-3H3