methyl N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-ethyl-carbamimidothioate

Systemtic Name: methyl N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-ethyl-carbamimidothioate Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-3-ethyl-2-methyl-isothiourea CAS Name: N-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-N'-ethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-N'-ethylcarbamimidothioate Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]amino]-3-ethyl-2-methyl-isothiourea Formula: C8H15N7S3 MolecularWeight: 305.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NNC(=S)N1C(=NC(=N1)SC)N)SC

Isomeric SMILES

CCN=C(NNC(=S)N1C(=NC(=N1)SC)N)SC

InChI

InChI=1S/C8H15N7S3/c1-4-10-6(17-2)12-13-8(16)15-5(9)11-7(14-15)18-3/h4H2,1-3H3,(H,10,12)(H,13,16)(H2,9,11,14)