1-(5-ethylthiophen-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-ethylthiophen-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-ethyl-2-thienyl)ethanone CAS Name: 1-(5-ethyl-2-thiophenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-ethylthiophen-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-ethyl-2-thienyl)ethanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CCC1=CC=C(S1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21N3O2S2/c1-4-12-23-19(15-8-6-7-9-17(15)25-3)21-22-20(23)26-13-16(24)18-11-10-14(5-2)27-18/h4,6-11H,1,5,12-13H2,2-3H3