(E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethoxyphenyl)acrylonitrile Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C18H14N2O2S/c1-21-14-8-12(9-15(10-14)22-2)7-13(11-19)18-20-16-5-3-4-6-17(16)23-18/h3-10H,1-2H3/b13-7+