2-azanyl-4-cyclopropyl-6-[1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-cyclopropyl-6-[1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-cyclopropyl-6-[1-(5-methylisoxazol-3-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-cyclopropyl-6-[[1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-pyrrolidinyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-cyclopropyl-6-[1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-cyclopropyl-6-[[2,5-diketo-1-(5-methylisoxazol-3-yl)pyrrolidin-3-yl]thio]dinicotinonitrile Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N

InChI

InChI=1S/C18H14N6O3S/c1-8-4-13(23-27-8)24-14(25)5-12(18(24)26)28-17-11(7-20)15(9-2-3-9)10(6-19)16(21)22-17/h4,9,12H,2-3,5H2,1H3,(H2,21,22)