4-[5-[(E)-[1-(4-bromanyl-2-methyl-phenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[(E)-[1-(4-bromanyl-2-methyl-phenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[(E)-[1-(4-bromo-2-methyl-phenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzonitrile CAS Name: 4-[5-[(E)-[1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzonitrile IUPAC Name: 4-[5-[(E)-[1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzonitrile Traditional Name: 4-[5-[(E)-[1-(4-bromo-2-methyl-phenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzonitrile Formula: C23H14BrN3O3S MolecularWeight: 492.34456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C#N)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C#N)/C(=O)NC2=S

InChI

InChI=1S/C23H14BrN3O3S/c1-13-10-16(24)6-8-19(13)27-22(29)18(21(28)26-23(27)31)11-17-7-9-20(30-17)15-4-2-14(12-25)3-5-15/h2-11H,1H3,(H,26,28,31)/b18-11+