2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-[(2-methyl-8-quinolyl)amino]prop-2-enenitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-[(2-methyl-8-quinolinyl)amino]-2-propenenitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-[(2-methyl-8-quinolyl)amino]acrylonitrile Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C23H16N4O2S/c1-14-5-6-15-3-2-4-18(22(15)26-14)25-11-17(10-24)23-27-19(12-30-23)16-7-8-20-21(9-16)29-13-28-20/h2-9,11-12,25H,13H2,1H3