methyl N,N'-bis(1,2,4-triazol-1-yl)carbamimidothioate

Systemtic Name: methyl N,N'-bis(1,2,4-triazol-1-yl)carbamimidothioate Openeye Name: 2-methyl-1,3-bis(1,2,4-triazol-1-yl)isothiourea CAS Name: N,N'-bis(1,2,4-triazol-1-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis(1,2,4-triazol-1-yl)carbamimidothioate Traditional Name: 2-methyl-1,3-bis(1,2,4-triazol-1-yl)isothiourea Formula: C6H8N8S MolecularWeight: 224.24632

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN1C=NC=N1)NN2C=NC=N2

Isomeric SMILES

CS/C(=N\N1C=NC=N1)/NN2C=NC=N2

InChI

InChI=1S/C6H8N8S/c1-15-6(11-13-4-7-2-9-13)12-14-5-8-3-10-14/h2-5H,1H3,(H,11,12)