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

Systemtic Name: 3-[(4-ethylphenoxy)methyl]-5-(2-methylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-ethylphenoxy)methyl]-5-isobutylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-ethylphenoxy)methyl]-5-(2-methylpropylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-ethylphenoxy)methyl]-5-(2-methylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-ethylphenoxy)methyl]-5-(isobutylthio)-1,2,4-triazole Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(C)C

InChI

InChI=1S/C18H25N3OS/c1-5-11-21-17(19-20-18(21)23-13-14(3)4)12-22-16-9-7-15(6-2)8-10-16/h5,7-10,14H,1,6,11-13H2,2-4H3