2-azanyl-4-[4-[(4-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(4-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thienyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN2O3S/c1-13-14(12-29-16-6-4-15(25)5-7-16)8-20(31-13)21-17(11-26)23(27)30-19-10-24(2,3)9-18(28)22(19)21/h4-8,21H,9-10,12,27H2,1-3H3