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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-iodo-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-iodo-benzamide Formula: C20H13ClIN5OS MolecularWeight: 533.77259

Click to see the large picture

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)I

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClIN5OS/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)