2,4-dimethyl-N-[(E)-(2-phenylindol-3-ylidene)amino]-1,2,4-triazol-4-ium-3-amine sulfate

Systemtic Name: 2,4-dimethyl-N-[(E)-(2-phenylindol-3-ylidene)amino]-1,2,4-triazol-4-ium-3-amine sulfate Openeye Name: 2,4-dimethyl-N-[(E)-(2-phenylindol-3-ylidene)amino]-1,2,4-triazol-4-ium-3-amine sulfate CAS Name: 2,4-dimethyl-N-[(E)-(2-phenyl-3-indolylidene)amino]-1,2,4-triazol-4-ium-3-amine sulfate IUPAC Name: 2,4-dimethyl-N-[(E)-(2-phenylindol-3-ylidene)amino]-1,2,4-triazol-4-ium-3-amine sulfate Traditional Name: (2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)-[(E)-(2-phenylindol-3-ylidene)amino]amine sulfate Formula: C36H34N12O4S MolecularWeight: 730.79816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C=N1)C)NN=C2C3=CC=CC=C3N=C2C4=CC=CC=C4.CN1C(=[N+](C=N1)C)NN=C2C3=CC=CC=C3N=C2C4=CC=CC=C4.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1N=C[N+](=C1N/N=C\2/C(=NC3=CC=CC=C23)C4=CC=CC=C4)C.CN1N=C[N+](=C1N/N=C\2/C(=NC3=CC=CC=C23)C4=CC=CC=C4)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C18H16N6.H2O4S/c2*1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)/b2*21-17+;