3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3S/c1-5-10-25-18(13-29-17-8-6-15(7-9-17)20(2,3)4)22-23-19(25)30-14-24-12-16(11-21-24)26(27)28/h5-9,11-12H,1,10,13-14H2,2-4H3