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

Systemtic Name: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(2-furanylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-4-(2-furfuryl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H15ClN4O3S MolecularWeight: 426.8761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O3S/c21-16-4-1-3-15(11-16)19-22-23-20(24(19)12-18-5-2-10-28-18)29-13-14-6-8-17(9-7-14)25(26)27/h1-11H,12-13H2