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

Systemtic Name: 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethylcarbamic acid Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethylcarbamic acid CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]ethylcarbamic acid IUPAC Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethylcarbamic acid Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]ethylcarbamic acid Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c17-7-11-13(9-1-3-10(22)4-2-9)12(8-18)15(21-14(11)19)25-6-5-20-16(23)24/h1-4,20-21H,5-6,19H2,(H,23,24)