N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-fluorobenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-fluoro-benzamide Formula: C20H13ClFN5OS MolecularWeight: 425.866523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H13ClFN5OS/c21-15-10-17-18(26-27(25-17)14-7-2-1-3-8-14)11-16(15)23-20(29)24-19(28)12-5-4-6-13(22)9-12/h1-11H,(H2,23,24,28,29)