[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanylmethylcarbamic acid

Systemtic Name: [6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanylmethylcarbamic acid Openeye Name: [6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanylmethylcarbamic acid CAS Name: [[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]methylcarbamic acid IUPAC Name: [6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanylmethylcarbamic acid Traditional Name: [[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]methylcarbamic acid Formula: C15H11N5O3S MolecularWeight: 341.34454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O3S/c16-5-10-12(8-1-3-9(21)4-2-8)11(6-17)14(20-13(10)18)24-7-19-15(22)23/h1-4,19-20H,7,18H2,(H,22,23)