N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C19H17BrN4O3S/c1-12-19(26)23(15-4-2-3-5-16(15)27-12)10-18(25)22-17-6-7-21-24(17)9-14-8-13(20)11-28-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)