[4-[[5-cyano-1,4-dimethyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]methylcarbamoylamino]phenyl] thiocyanate

Systemtic Name: [4-[[5-cyano-1,4-dimethyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]methylcarbamoylamino]phenyl] thiocyanate Openeye Name: [4-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridylidene)methylcarbamoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)methylcarbamoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(5-cyano-2,6-diketo-1,4-dimethyl-3-pyridylidene)methylcarbamoylamino]phenyl] ester Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CNC(=O)NC2=CC=C(C=C2)SC#N)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=O)C1=CNC(=O)NC2=CC=C(C=C2)SC#N)C)C#N

InChI

InChI=1S/C17H13N5O3S/c1-10-13(7-18)15(23)22(2)16(24)14(10)8-20-17(25)21-11-3-5-12(6-4-11)26-9-19/h3-6,8H,1-2H3,(H2,20,21,25)