3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19ClN4O4S/c1-31-20-12-11-15(13-21(20)32-2)22-25-26-23(27(22)16-7-4-3-5-8-16)33-14-17-18(24)9-6-10-19(17)28(29)30/h3-13H,14H2,1-2H3