N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H22BrN5O3S MolecularWeight: 516.41078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22BrN5O3S/c23-18-11-4-5-12-19(18)24-20(29)14-32-22-26-25-21(27(22)16-8-2-1-3-9-16)15-7-6-10-17(13-15)28(30)31/h4-7,10-13,16H,1-3,8-9,14H2,(H,24,29)