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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(2-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-nitrobenzyl)thio]-5-(o-tolyl)-1,2,4-triazole Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-15-5-2-3-7-19(15)20-22-23-21(24(20)13-18-6-4-12-28-18)29-14-16-8-10-17(11-9-16)25(26)27/h2-12H,13-14H2,1H3