(E)-2-(1,3-benzothiazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-piperidinophenyl)acrylonitrile Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3S/c22-15-17(21-23-19-6-2-3-7-20(19)25-21)14-16-8-10-18(11-9-16)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2/b17-14+