3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[1-(3-nitrophenyl)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-4-9-21-17(16-8-10-25-12(16)2)19-20-18(21)26-13(3)14-6-5-7-15(11-14)22(23)24/h4-8,10-11,13H,1,9H2,2-3H3