5-bromanyl-2-methoxy-3-methyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H20BrN5O2S MolecularWeight: 546.4383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C26H20BrN5O2S/c1-15-12-17(27)13-20(24(15)34-2)25(33)29-26(35)28-18-10-11-21-22(14-18)31-32(30-21)23-9-5-7-16-6-3-4-8-19(16)23/h3-14H,1-2H3,(H2,28,29,33,35)