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

Systemtic Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile Openeye Name: 2-[4-(3-bromophenyl)thiazol-2-yl]-3-[(2-methyl-8-quinolyl)amino]prop-2-enenitrile CAS Name: 2-[4-(3-bromophenyl)-2-thiazolyl]-3-[(2-methyl-8-quinolinyl)amino]-2-propenenitrile IUPAC Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-methylquinolin-8-yl)amino]prop-2-enenitrile Traditional Name: 2-[4-(3-bromophenyl)thiazol-2-yl]-3-[(2-methyl-8-quinolyl)amino]acrylonitrile Formula: C22H15BrN4S MolecularWeight: 447.3503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4S/c1-14-8-9-15-4-3-7-19(21(15)26-14)25-12-17(11-24)22-27-20(13-28-22)16-5-2-6-18(23)10-16/h2-10,12-13,25H,1H3