3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-methyl-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4O2S/c1-14(16-7-6-8-18(13-16)25(26)27)28-20-23-22-19(24(20)5)15-9-11-17(12-10-15)21(2,3)4/h6-14H,1-5H3