3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O2S/c1-24(2,3)19-12-10-18(11-13-19)22-25-26-23(27(22)20-6-4-5-7-20)31-16-17-8-14-21(15-9-17)28(29)30/h8-15,20H,4-7,16H2,1-3H3