3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N4O4S/c1-14-18(10-11-29-14)20-22-23-21(24(20)16-6-4-3-5-7-16)30-13-15-12-17(25(26)27)8-9-19(15)28-2/h3-12H,13H2,1-2H3