2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-butylphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-butylphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(4-butylanilino)prop-2-enenitrile CAS Name: 2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(4-butylanilino)-2-propenenitrile IUPAC Name: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-butylanilino)prop-2-enenitrile Traditional Name: 2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(4-butylanilino)acrylonitrile Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C25H20BrN3O2S/c1-2-3-4-16-5-8-20(9-6-16)28-14-18(13-27)24-29-22(15-32-24)21-12-17-11-19(26)7-10-23(17)31-25(21)30/h5-12,14-15,28H,2-4H2,1H3