3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chloro-6-methoxy-benzothiophen-2-yl)-5-cinnamylsulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chloro-6-methoxy-benzothiophen-2-yl)-5-(cinnamylthio)-4-methyl-1,2,4-triazole Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

Isomeric SMILES

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

InChI

InChI=1S/C21H18ClN3OS2/c1-25-20(19-18(22)16-11-10-15(26-2)13-17(16)28-19)23-24-21(25)27-12-6-9-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3