2-[[4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(1,3-dimethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(4,6-diketo-1,3-dimethyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzonitrile Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H21N3O4S/c1-4-29-20-12-15(11-18-21(27)25(2)23(31)26(3)22(18)28)9-10-19(20)30-14-17-8-6-5-7-16(17)13-24/h5-12H,4,14H2,1-3H3