4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C9H16N5OS+ MolecularWeight: 242.32124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C=O

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C9H15N5OS/c1-11-6-10-14(9(11)16)7-12-2-4-13(8-15)5-3-12/h6,8H,2-5,7H2,1H3/p+1