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

Systemtic Name: 2-(4-nitrophenyl)-5-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O3S/c1-2-7-19-9-15-18-14(19)24-8-12-16-17-13(23-12)10-3-5-11(6-4-10)20(21)22/h2-6,9H,1,7-8H2