2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-12-18(19(28)26(25(12)2)14-6-4-3-5-7-14)24-17(27)11-29-20-22-15-9-8-13(21)10-16(15)23-20/h3-10H,11H2,1-2H3,(H,22,23)(H,24,27)