N-[[4-bromanyl-5-(5-bromanylselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanecarbothioamide

Systemtic Name: N-[[4-bromanyl-5-(5-bromanylselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanecarbothioamide Openeye Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanecarbothioamide CAS Name: N-[[4-bromo-5-(5-bromo-2-selenophenyl)-1-(2,4-dichlorophenyl)-3-pyrazolyl]methyl]cyclopentanecarbothioamide IUPAC Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanecarbothioamide Traditional Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclopentanecarbothioamide Formula: C20H17Br2Cl2N3SSe MolecularWeight: 641.10808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=S)NCC2=NN(C(=C2Br)C3=CC=C([Se]3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(C1)C(=S)NCC2=NN(C(=C2Br)C3=CC=C([Se]3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H17Br2Cl2N3SSe/c21-17-8-7-16(29-17)19-18(22)14(10-25-20(28)11-3-1-2-4-11)26-27(19)15-6-5-12(23)9-13(15)24/h5-9,11H,1-4,10H2,(H,25,28)