5-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole Openeye Name: 5-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-(3-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]-3-(3-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole Traditional Name: 5-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3-(3-pyridyl)-1,2,4-oxadiazole Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCC2=NC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCC2=NC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-2-13-27-20(16-8-4-3-5-9-16)24-25-21(27)29-14-7-11-18-23-19(26-28-18)17-10-6-12-22-15-17/h2-6,8-10,12,15H,1,7,11,13-14H2