(E)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: (E)-2-[4-(3-methoxyphenyl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: (E)-2-[4-(3-methoxyphenyl)-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: (E)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: (E)-2-[4-(3-methoxyphenyl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3)N=CC=C4)/C#N

InChI

InChI=1S/C22H16N4OS/c1-27-19-6-2-4-16(11-19)21-14-28-22(26-21)17(12-23)13-25-18-7-8-20-15(10-18)5-3-9-24-20/h2-11,13-14,25H,1H3/b17-13+