4-bromanyl-3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-2-naphthamide Formula: C25H18BrN5O2S MolecularWeight: 532.41172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)Br

InChI

InChI=1S/C25H18BrN5O2S/c1-33-23-19(13-15-7-5-6-10-18(15)22(23)26)24(32)28-25(34)27-16-11-12-20-21(14-16)30-31(29-20)17-8-3-2-4-9-17/h2-14H,1H3,(H2,27,28,32,34)