(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(4-morpholinophenyl)prop-2-enenitrile CAS Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-[4-(4-morpholinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(4-morpholinophenyl)acrylonitrile Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(C#N)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3OS/c21-16-3-6-19-18(12-16)23-20(26-19)15(13-22)11-14-1-4-17(5-2-14)24-7-9-25-10-8-24/h1-6,11-12H,7-10H2/b15-11+