2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-bromanyl-4-methyl-phenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-bromanyl-4-methyl-phenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(2-bromo-4-methyl-anilino)prop-2-enenitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(2-bromo-4-methylanilino)-2-propenenitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-bromo-4-methylanilino)prop-2-enenitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(2-bromo-4-methyl-anilino)acrylonitrile Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C20H14BrN3O2S/c1-12-2-4-16(15(21)6-12)23-9-14(8-22)20-24-17(10-27-20)13-3-5-18-19(7-13)26-11-25-18/h2-7,9-10,23H,11H2,1H3