3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1H-pyrazol-4-yl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1H-pyrazol-4-yl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1H-pyrazol-4-yl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1H-pyrazol-4-yl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1H-pyrazol-4-yl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(1H-pyrazol-4-yl)propionamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CNN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CNN=C3

InChI

InChI=1S/C13H13N5O3S/c19-12(17-9-7-15-16-8-9)5-6-14-13-10-3-1-2-4-11(10)22(20,21)18-13/h1-4,7-8H,5-6H2,(H,14,18)(H,15,16)(H,17,19)