2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 2-[[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 2-[[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=N3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=N3

InChI

InChI=1S/C27H36N4OS/c1-3-5-6-7-8-9-10-13-21-32-25-17-15-23(16-18-25)26-29-30-27(31(26)20-4-2)33-22-24-14-11-12-19-28-24/h4,11-12,14-19H,2-3,5-10,13,20-22H2,1H3