2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-3-16-27-21(11-7-8-18-12-14-20(29-2)15-13-18)25-26-23(27)30-17-22(28)24-19-9-5-4-6-10-19/h3-6,9-10,12-15H,1,7-8,11,16-17H2,2H3,(H,24,28)