3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-furyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-furyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C17H16N4O4S/c1-3-8-20-16(15-5-4-9-25-15)18-19-17(20)26-11-12-10-13(21(22)23)6-7-14(12)24-2/h3-7,9-10H,1,8,11H2,2H3