5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H20N6OS/c1-2-14-5-7-15(8-6-14)19-23-18(28-26-19)13-29-21-25-24-20(27(21)17-9-10-17)16-4-3-11-22-12-16/h3-8,11-12,17H,2,9-10,13H2,1H3