5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-6-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)pyridazine-4-carbonitrile

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-6-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)pyridazine-4-carbonitrile Openeye Name: 6-(5-anilino-1,3,4-thiadiazol-2-yl)-5-methyl-2-(4-nitrophenyl)-3-oxo-pyridazine-4-carbonitrile CAS Name: 6-(5-anilino-1,3,4-thiadiazol-2-yl)-5-methyl-2-(4-nitrophenyl)-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 6-(5-anilino-1,3,4-thiadiazol-2-yl)-5-methyl-2-(4-nitrophenyl)-3-oxopyridazine-4-carbonitrile Traditional Name: 6-(5-anilino-1,3,4-thiadiazol-2-yl)-3-keto-5-methyl-2-(4-nitrophenyl)pyridazine-4-carbonitrile Formula: C20H13N7O3S MolecularWeight: 431.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=NN=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=NN=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H13N7O3S/c1-12-16(11-21)19(28)26(14-7-9-15(10-8-14)27(29)30)25-17(12)18-23-24-20(31-18)22-13-5-3-2-4-6-13/h2-10H,1H3,(H,22,24)