methyl N'-(1H-1,2,4-triazol-5-yl)carbamimidothioate

Systemtic Name: methyl N'-(1H-1,2,4-triazol-5-yl)carbamimidothioate Openeye Name: 2-methyl-3-(1H-1,2,4-triazol-5-yl)isothiourea CAS Name: N'-(1H-1,2,4-triazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1H-1,2,4-triazol-5-yl)carbamimidothioate Traditional Name: 2-methyl-3-(1H-1,2,4-triazol-5-yl)isothiourea Formula: C4H7N5S MolecularWeight: 157.19688

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=NC=NN1)N

Isomeric SMILES

CS/C(=N/C1=NC=NN1)/N

InChI

InChI=1S/C4H7N5S/c1-10-3(5)8-4-6-2-7-9-4/h2H,1H3,(H3,5,6,7,8,9)