3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H18N4OS/c1-3-21-16(14-6-8-15(22-2)9-7-14)19-20-17(21)23-12-13-5-4-10-18-11-13/h4-11H,3,12H2,1-2H3