3-(3-chloranyl-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-4-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-4-(4-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazole Formula: C25H20ClN3OS2 MolecularWeight: 478.0288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H20ClN3OS2/c1-30-19-13-11-18(12-14-19)29-24(23-22(26)20-9-5-6-10-21(20)32-23)27-28-25(29)31-16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3