(E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)but-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)but-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)but-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-2-butenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)but-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)but-2-enenitrile Formula: C17H11ClN2S MolecularWeight: 310.80064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

C/C(=C(/C#N)\C1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClN2S/c1-11(12-6-8-13(18)9-7-12)14(10-19)17-20-15-4-2-3-5-16(15)21-17/h2-9H,1H3/b14-11+