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

Systemtic Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H21BrN4OS/c1-12-20-21-17(22(12)15-8-3-2-4-9-15)24-11-16(23)19-14-7-5-6-13(18)10-14/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,19,23)