N-[4-[2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)ethanoyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)ethanoyl]phenyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]benzamide CAS Name: 2-bromo-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-oxoethyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]benzamide Traditional Name: 2-bromo-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]benzamide Formula: C19H18BrN5O2 MolecularWeight: 428.28252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)N1CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=NN(C(=N)N1CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C19H18BrN5O2/c1-12-23-24(2)19(21)25(12)11-17(26)13-7-9-14(10-8-13)22-18(27)15-5-3-4-6-16(15)20/h3-10,21H,11H2,1-2H3,(H,22,27)