methyl 4-(8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carboximidothioate

Systemtic Name: methyl 4-(8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carboximidothioate Openeye Name: methyl 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carboximidothioate CAS Name: 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyano-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyanopiperidine-1-carboximidothioate Traditional Name: 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carboximidothioic acid methyl ester Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)CC1

Isomeric SMILES

CSC(=NC#N)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C21H19ClN4OS/c1-28-21(25-13-23)26-9-6-14(7-10-26)19-17-5-4-16(22)11-18(17)27-12-15-3-2-8-24-20(15)19/h2-5,8,11H,6-7,9-10,12H2,1H3