1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-6-oxo-N-(p-tolyl)pyridazine-3-carboxamide CAS Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-6-keto-N-(p-tolyl)pyridazine-3-carboxamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N5O3S/c1-13-6-8-14(9-7-13)22-20(29)16-10-11-19(28)26(25-16)12-18(27)24-21-23-15-4-2-3-5-17(15)30-21/h2-11H,12H2,1H3,(H,22,29)(H,23,24,27)