(E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenethyloxy-phenyl)acrylonitrile Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O2S/c1-28-23-16-19(11-12-22(23)29-14-13-18-7-3-2-4-8-18)15-20(17-26)25-27-21-9-5-6-10-24(21)30-25/h2-12,15-16H,13-14H2,1H3/b20-15+