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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=CN2C(C)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NN=CN2C(C)C

InChI

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