3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-methyl-3-furyl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O3S/c1-14-18(11-12-27-14)19-21-22-20(23(19)16-5-3-2-4-6-16)28-13-15-7-9-17(10-8-15)24(25)26/h2-12H,13H2,1H3