[4-[[1-(4-iodophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]-3-methoxy-phenyl] thiocyanate

Systemtic Name: [4-[[1-(4-iodophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]-3-methoxy-phenyl] thiocyanate Openeye Name: [4-[[1-(4-iodophenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]-3-methoxy-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-(4-iodophenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]-3-methoxyphenyl] ester IUPAC Name: [4-[[1-(4-iodophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-3-methoxyphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1-(4-iodophenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]-3-methoxy-phenyl] ester Formula: C19H15IN4O2S MolecularWeight: 490.31747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC#N)NC=C2C(=C)NN(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

COC1=C(C=CC(=C1)SC#N)NC=C2C(=C)NN(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H15IN4O2S/c1-12-16(19(25)24(23-12)14-5-3-13(20)4-6-14)10-22-17-8-7-15(27-11-21)9-18(17)26-2/h3-10,22-23H,1H2,2H3