N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]nicotinamide Formula: C20H15ClN6O2S MolecularWeight: 438.8901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C20H15ClN6O2S/c1-29-18-7-5-14(10-15(18)21)27-25-16-6-4-13(9-17(16)26-27)23-20(30)24-19(28)12-3-2-8-22-11-12/h2-11H,1H3,(H2,23,24,28,30)