ethyl 2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate CAS Name: 2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]-4-phenyl-5-thiocyanato-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]-4-phenyl-5-thiocyanatothiophene-3-carboxylate Traditional Name: 2-[N'-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylic acid ethyl ester Formula: C18H13N5O4S3 MolecularWeight: 459.52192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NN=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NN=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H13N5O4S3/c1-2-27-16(26)11-10(9-6-4-3-5-7-9)17(29-8-19)30-15(11)23-22-12-13(24)20-18(28)21-14(12)25/h3-7,23H,2H2,1H3,(H2,20,21,24,25,28)