5-[3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]-3H-1,2,4-triazole

Systemtic Name: 5-[3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]-3H-1,2,4-triazole Openeye Name: 5-[3-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]phenyl]-3H-1,2,4-triazole CAS Name: 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]phenyl]-3H-1,2,4-triazole IUPAC Name: 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-3H-1,2,4-triazole Traditional Name: 5-[3-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]phenyl]-3H-1,2,4-triazole Formula: C25H18ClN3OS MolecularWeight: 443.94792

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=N1)C2=CC=CC(=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1N=C(N=N1)C2=CC=CC(=C2)C3=C(C=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C25H18ClN3OS/c26-20-9-10-23(30-15-17-5-2-1-3-6-17)22(14-20)21-11-12-31-24(21)18-7-4-8-19(13-18)25-27-16-28-29-25/h1-14H,15-16H2