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

Systemtic Name: methyl N'-phenyl-N-(1,2,4-triazol-4-yl)carbamimidothioate Openeye Name: 2-methyl-3-phenyl-1-(1,2,4-triazol-4-yl)isothiourea CAS Name: N'-phenyl-N-(1,2,4-triazol-4-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-phenyl-N-(1,2,4-triazol-4-yl)carbamimidothioate Traditional Name: 2-methyl-3-phenyl-1-(1,2,4-triazol-4-yl)isothiourea Formula: C10H11N5S MolecularWeight: 233.29284

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)NN2C=NN=C2

Isomeric SMILES

CSC(=NC1=CC=CC=C1)NN2C=NN=C2

InChI

InChI=1S/C10H11N5S/c1-16-10(14-15-7-11-12-8-15)13-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)