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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(3-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-28-18-5-2-4-16(12-18)20-22-23-21(24(20)13-19-6-3-11-29-19)30-14-15-7-9-17(10-8-15)25(26)27/h2-12H,13-14H2,1H3