4-(3-chloranyl-4-methoxy-phenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-3-(1-naphthylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3-chloro-4-methoxyphenyl)-3-(1-naphthalenylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-3-(1-naphthylmethylthio)-5-phenyl-1,2,4-triazole Formula: C26H20ClN3OS MolecularWeight: 457.9745

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H20ClN3OS/c1-31-24-15-14-21(16-23(24)27)30-25(19-9-3-2-4-10-19)28-29-26(30)32-17-20-12-7-11-18-8-5-6-13-22(18)20/h2-16H,17H2,1H3