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

Systemtic Name: 2-[2-ethoxy-4-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-ethoxy-4-[(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-ethoxy-4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-ethoxy-4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]acetonitrile Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)OCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)OCC#N

InChI

InChI=1S/C16H15N3O4S/c1-3-22-13-9-10(4-5-12(13)23-7-6-17)8-11-14(20)18-16(24)19(2)15(11)21/h4-5,8-9H,3,7H2,1-2H3,(H,18,20,24)