3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[1-(4-ethylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3S/c1-4-10-24-18(14(3)28-17-8-6-15(5-2)7-9-17)21-22-19(24)29-13-23-12-16(11-20-23)25(26)27/h4,6-9,11-12,14H,1,5,10,13H2,2-3H3