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

Systemtic Name: N-(4-bromophenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C16H21BrN4OS/c1-4-9-21-15(11(2)3)19-20-16(21)23-10-14(22)18-13-7-5-12(17)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,22)