3-[(4-ethylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-ethylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-ethylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-ethylphenoxy)methyl]-5-[(3-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-ethylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-ethylphenoxy)methyl]-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-3-12-24-20(14-28-19-10-8-16(4-2)9-11-19)22-23-21(24)29-15-17-6-5-7-18(13-17)25(26)27/h3,5-11,13H,1,4,12,14-15H2,2H3