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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-pyrazol-1-ylphenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrazol-1-ylphenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(1-pyrazolyl)phenyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrazol-1-ylphenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrazol-1-ylphenyl)propionamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H17N5O3S/c25-18(22-14-6-8-15(9-7-14)24-13-3-11-21-24)10-12-20-19-16-4-1-2-5-17(16)28(26,27)23-19/h1-9,11,13H,10,12H2,(H,20,23)(H,22,25)