(E)-2-[6,8-bis(bromanyl)-4-sulfanylidene-1H-quinazolin-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[6,8-bis(bromanyl)-4-sulfanylidene-1H-quinazolin-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6,8-dibromo-4-thioxo-1H-quinazolin-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(6,8-dibromo-4-sulfanylidene-1H-quinazolin-2-yl)-3-(4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6,8-dibromo-4-sulfanylidene-1H-quinazolin-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6,8-dibromo-4-thioxo-1H-quinazolin-2-yl)-3-(4-methoxyphenyl)acrylonitrile Formula: C18H11Br2N3OS MolecularWeight: 477.17244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=NC(=S)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=S)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C18H11Br2N3OS/c1-24-13-4-2-10(3-5-13)6-11(9-21)17-22-16-14(18(25)23-17)7-12(19)8-15(16)20/h2-8H,1H3,(H,22,23,25)/b11-6+