2-iodanyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-iodo-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 2-iodo-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-iodo-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C20H14IN5OS MolecularWeight: 499.32753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C20H14IN5OS/c21-16-9-5-4-8-15(16)19(27)23-20(28)22-13-10-11-17-18(12-13)25-26(24-17)14-6-2-1-3-7-14/h1-12H,(H2,22,23,27,28)