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

Systemtic Name: N-[[4-bromanyl-5-(5-bromanylselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclohexanecarbothioamide Openeye Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclohexanecarbothioamide CAS Name: N-[[4-bromo-5-(5-bromo-2-selenophenyl)-1-(2,4-dichlorophenyl)-3-pyrazolyl]methyl]cyclohexanecarbothioamide IUPAC Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclohexanecarbothioamide Traditional Name: N-[[4-bromo-5-(5-bromoselenophen-2-yl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methyl]cyclohexanecarbothioamide Formula: C21H19Br2Cl2N3SSe MolecularWeight: 655.13466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=S)NCC2=NN(C(=C2Br)C3=CC=C([Se]3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)C(=S)NCC2=NN(C(=C2Br)C3=CC=C([Se]3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Br2Cl2N3SSe/c22-18-9-8-17(30-18)20-19(23)15(11-26-21(29)12-4-2-1-3-5-12)27-28(20)16-7-6-13(24)10-14(16)25/h6-10,12H,1-5,11H2,(H,26,29)