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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-methoxy-phenyl] thiocyanate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methoxy-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-methoxyphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-methoxy-phenyl] ester Formula: C13H10N4O3S2 MolecularWeight: 334.3735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC#N)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)SC#N)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C13H10N4O3S2/c1-20-10-4-7(22-6-14)2-3-9(10)15-5-8-11(18)16-13(21)17-12(8)19/h2-5,15H,1H3,(H2,16,17,18,19,21)