(E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyrrolidin-1-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyrrolidin-1-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyrrolidin-1-ylphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyrrolidinophenyl)acrylonitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3S/c21-14-16(20-22-17-8-2-4-10-19(17)24-20)13-15-7-1-3-9-18(15)23-11-5-6-12-23/h1-4,7-10,13H,5-6,11-12H2/b16-13+