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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)NC=C2C(=C(C(=O)NC2=O)C#N)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)NC=C2C(=C(C(=O)NC2=O)C#N)C

InChI

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