2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClN3OS2/c1-2-12-25-20(19-18(22)15-10-6-7-11-17(15)28-19)23-24-21(25)27-13-16(26)14-8-4-3-5-9-14/h2-11H,1,12-13H2