(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylonitrile Formula: C21H14N4S MolecularWeight: 354.42766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N4S/c22-10-5-11-25-14-16(17-6-1-3-8-19(17)25)12-15(13-23)21-24-18-7-2-4-9-20(18)26-21/h1-4,6-9,12,14H,5,11H2/b15-12+