2-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzenecarbonitrile Openeye Name: 2-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzonitrile CAS Name: 2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzonitrile IUPAC Name: 2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile Traditional Name: 2-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzonitrile Formula: C16H9N3O3S MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H9N3O3S/c17-8-9-3-1-2-4-11(9)13-6-5-10(22-13)7-12-14(20)18-16(23)19-15(12)21/h1-7H,(H2,18,19,20,21,23)