4-isocyano-1,2-dimethyl-N-[(Z)-(2-methylimino-4-phenyl-1,3-thiazol-5-ylidene)amino]pyrazol-1-ium-3-amine

Systemtic Name: 4-isocyano-1,2-dimethyl-N-[(Z)-(2-methylimino-4-phenyl-1,3-thiazol-5-ylidene)amino]pyrazol-1-ium-3-amine Openeye Name: 4-isocyano-1,2-dimethyl-N-[(Z)-(2-methylimino-4-phenyl-thiazol-5-ylidene)amino]pyrazol-1-ium-3-amine CAS Name: 4-isocyano-1,2-dimethyl-N-[(Z)-(2-methylimino-4-phenyl-5-thiazolylidene)amino]-3-pyrazol-1-iumamine IUPAC Name: 4-isocyano-1,2-dimethyl-N-[(Z)-(2-methylimino-4-phenyl-1,3-thiazol-5-ylidene)amino]pyrazol-1-ium-3-amine Traditional Name: (4-isocyano-1,2-dimethyl-pyrazol-1-ium-3-yl)-[(Z)-(2-methylimino-4-phenyl-3-thiazolin-5-ylidene)amino]amine Formula: C16H16N7S+ MolecularWeight: 338.41014

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N=C(C(=NNC2=C(C=[N+](N2C)C)[N+]#[C-])S1)C3=CC=CC=C3

Isomeric SMILES

CN=C1N=C(/C(=N/NC2=C(C=[N+](N2C)C)[N+]#[C-])/S1)C3=CC=CC=C3

InChI

InChI=1S/C16H15N7S/c1-17-12-10-22(3)23(4)14(12)20-21-15-13(19-16(18-2)24-15)11-8-6-5-7-9-11/h5-10H,2-4H3/p+1/b18-16?,21-15-