4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(4-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O3S/c25-24(26)17-10-8-15(9-11-17)14-28-20-22-21-19(16-5-2-1-3-6-16)23(20)13-18-7-4-12-27-18/h1-12H,13-14H2