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

Systemtic Name: 5-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C17H16N6O3S/c1-2-8-22-16(11-6-7-11)19-20-17(22)27-10-14-18-15(21-26-14)12-4-3-5-13(9-12)23(24)25/h2-5,9,11H,1,6-8,10H2