N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C25H18FN5O2S MolecularWeight: 471.506123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H18FN5O2S/c1-33-23-13-16-5-3-2-4-15(16)12-20(23)24(32)28-25(34)27-18-8-11-21-22(14-18)30-31(29-21)19-9-6-17(26)7-10-19/h2-14H,1H3,(H2,27,28,32,34)