1-[(3S)-4-cyclohexyl-3-(5-nitrofuran-2-yl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[(3S)-4-cyclohexyl-3-(5-nitrofuran-2-yl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[(3S)-4-cyclohexyl-3-(5-nitro-2-furyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[(3S)-4-cyclohexyl-3-(5-nitro-2-furanyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[(3S)-4-cyclohexyl-3-(5-nitrofuran-2-yl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[(3S)-4-cyclohexyl-3-(5-nitro-2-furyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C2CCCCC2)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN([C@H](N1C2CCCCC2)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4/c1-14(25)19-21-23(16-10-6-3-7-11-16)20(17-12-13-18(28-17)24(26)27)22(19)15-8-4-2-5-9-15/h3,6-7,10-13,15,20H,2,4-5,8-9H2,1H3/t20-/m0/s1