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

Systemtic Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H22BrN5OS/c22-16-5-4-6-17(13-16)24-19(28)14-29-21-26-25-20(15-9-11-23-12-10-15)27(21)18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8,14H2,(H,24,28)