1-[4-ethoxy-3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C23H25N3O3S/c1-5-13-26-22(19-9-7-8-10-21(19)28-4)24-25-23(26)30-15-18-14-17(16(3)27)11-12-20(18)29-6-2/h5,7-12,14H,1,6,13,15H2,2-4H3