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

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[1-(3-nitrophenyl)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-methyl-3-furyl)-5-[1-(3-nitrophenyl)ethylthio]-4-phenyl-1,2,4-triazole Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-14-19(11-12-28-14)20-22-23-21(24(20)17-8-4-3-5-9-17)29-15(2)16-7-6-10-18(13-16)25(26)27/h3-13,15H,1-2H3