1-[[5-(2-chloranyl-1-benzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(2-chloranyl-1-benzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(2-chlorobenzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(2-chloro-1-benzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(2-chloro-1-benzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(2-chlorobenzothiophen-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C22H20ClN3OS2 MolecularWeight: 441.9967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(SC4=CC=CC=C43)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(SC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H20ClN3OS2/c1-22(2,3)17(27)13-28-21-25-24-20(26(21)14-9-5-4-6-10-14)18-15-11-7-8-12-16(15)29-19(18)23/h4-12H,13H2,1-3H3