2-[4-[(E)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#N)C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC#N)/C(=O)NC2=S

InChI

InChI=1S/C19H13N3O3S/c20-10-11-25-15-8-6-13(7-9-15)12-16-17(23)21-19(26)22(18(16)24)14-4-2-1-3-5-14/h1-9,12H,11H2,(H,21,23,26)/b16-12+