3-(furan-2-yl)-4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

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