N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c22-15-9-7-14(8-10-15)16-11-12-20(28)26(25-16)13-3-6-19(27)24-21-23-17-4-1-2-5-18(17)29-21/h1-2,4-5,7-12H,3,6,13H2,(H,23,24,27)