N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(2-thienyl)acetamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-2-(2-thienyl)acetamide Formula: C21H17BrN4OS2 MolecularWeight: 485.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=N2)Br)SC3=CC=CC=C3NC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=N2)Br)SC3=CC=CC=C3NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H17BrN4OS2/c22-20-24-21(26(25-20)14-15-7-2-1-3-8-15)29-18-11-5-4-10-17(18)23-19(27)13-16-9-6-12-28-16/h1-12H,13-14H2,(H,23,27)