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

Systemtic Name: 2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: 2-[4-(4-isobutylphenyl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: 2-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: 2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: 2-[4-(4-isobutylphenyl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N

InChI

InChI=1S/C25H22N4S/c1-17(2)12-18-5-7-19(8-6-18)24-16-30-25(29-24)21(14-26)15-28-22-9-10-23-20(13-22)4-3-11-27-23/h3-11,13,15-17,28H,12H2,1-2H3