1-chloranyl-N-ethyl-N-(pyridin-4-ylmethyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-ethyl-N-(pyridin-4-ylmethyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-ethyl-N-(4-pyridylmethyl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-ethyl-N-(pyridin-4-ylmethyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-ethyl-N-(4-pyridylmethyl)benzo[e]benzothiophene-2-carboxamide Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H17ClN2OS/c1-2-24(13-14-9-11-23-12-10-14)21(25)20-19(22)18-16-6-4-3-5-15(16)7-8-17(18)26-20/h3-12H,2,13H2,1H3