3-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-N-ethyl-anilino]propanenitrile CAS Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-N-ethylanilino]propanenitrile IUPAC Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-N-ethylanilino]propanenitrile Traditional Name: 3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-N-ethyl-anilino]propionitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CCN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C16H16N4O2S/c1-2-20(9-3-8-17)12-6-4-11(5-7-12)10-13-14(21)18-16(23)19-15(13)22/h4-7,10H,2-3,9H2,1H3,(H2,18,19,21,22,23)