6-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carbonitrile Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)C[NH+](CC3)C)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)C[NH+](CC3)C)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-13-17(20(26)25(23-13)14-6-4-3-5-7-14)11-22-19-16(10-21)15-8-9-24(2)12-18(15)27-19/h3-7,11,22H,8-9,12H2,1-2H3/p+1