N-(5-oxidanylidene-8-phenyl-pyrido[2,3-d]pyridazin-6-yl)-N-[(phenylmethyl)amino]methanethioamide

Systemtic Name: N-(5-oxidanylidene-8-phenyl-pyrido[2,3-d]pyridazin-6-yl)-N-[(phenylmethyl)amino]methanethioamide Openeye Name: N-(benzylamino)-N-(5-oxo-8-phenyl-pyrido[2,3-d]pyridazin-6-yl)thioformamide CAS Name: N-(5-oxo-8-phenyl-6-pyrido[2,3-d]pyridazinyl)-N-[(phenylmethyl)amino]methanethioamide IUPAC Name: N-(benzylamino)-N-(5-oxo-8-phenylpyrido[2,3-d]pyridazin-6-yl)methanethioamide Traditional Name: N-(benzylamino)-N-(5-keto-8-phenyl-pyrido[2,3-d]pyridazin-6-yl)thioformamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN(C=S)N2C(=O)C3=C(C(=N2)C4=CC=CC=C4)N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNN(C=S)N2C(=O)C3=C(C(=N2)C4=CC=CC=C4)N=CC=C3

InChI

InChI=1S/C21H17N5OS/c27-21-18-12-7-13-22-20(18)19(17-10-5-2-6-11-17)24-26(21)25(15-28)23-14-16-8-3-1-4-9-16/h1-13,15,23H,14H2