5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-4-carbonitrile Traditional Name: 5,6-dimethyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pyridazine-4-carbonitrile Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H15N7O2S/c1-13-14(2)23-25-20(18(13)12-22)31-21-26-24-19(27(21)16-6-4-3-5-7-16)15-8-10-17(11-9-15)28(29)30/h3-11H,1-2H3