(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-isopentyloxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-isoamoxyphenyl)acrylonitrile Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2OS/c1-15(2)11-12-24-18-9-7-16(8-10-18)13-17(14-22)21-23-19-5-3-4-6-20(19)25-21/h3-10,13,15H,11-12H2,1-2H3/b17-13+