N-(3-bromophenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-bromophenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)propanamide CAS Name: N-(3-bromophenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)propanamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)propionamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-3-25-18(12-15-8-5-4-6-9-15)23-24-20(25)27-14(2)19(26)22-17-11-7-10-16(21)13-17/h4-11,13-14H,3,12H2,1-2H3,(H,22,26)