[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]phenyl] thiocyanate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]phenyl] thiocyanate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]phenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]phenyl] ester Formula: C12H8N4O2S2 MolecularWeight: 304.34752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C(=O)NC(=S)NC2=O)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC=C2C(=O)NC(=S)NC2=O)SC#N

InChI

InChI=1S/C12H8N4O2S2/c13-6-20-8-3-1-7(2-4-8)14-5-9-10(17)15-12(19)16-11(9)18/h1-5,14H,(H2,15,16,17,18,19)