3-(furan-2-yl)-5-[3-(4-nitrophenyl)prop-2-enylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[3-(4-nitrophenyl)prop-2-enylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-furyl)-5-[3-(4-nitrophenyl)allylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[3-(4-nitrophenyl)prop-2-enylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[3-(4-nitrophenyl)prop-2-enylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-furyl)-5-[3-(4-nitrophenyl)allylthio]-4-phenyl-1,2,4-triazole Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2