1-chloranyl-N-(4,6-dimethylpyrimidin-2-yl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(4,6-dimethylpyrimidin-2-yl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-(4,6-dimethyl-2-pyrimidinyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzo[e]benzothiophene-2-carboxamide Formula: C19H14ClN3OS MolecularWeight: 367.85196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)C

InChI

InChI=1S/C19H14ClN3OS/c1-10-9-11(2)22-19(21-10)23-18(24)17-16(20)15-13-6-4-3-5-12(13)7-8-14(15)25-17/h3-9H,1-2H3,(H,21,22,23,24)