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

Systemtic Name: 3-(4-ethylphenyl)-5-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[[4-allyl-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(N3CC=C)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

InChI

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