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

Systemtic Name: methyl N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-N'-phenylcarbamimidothioate Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]amino]-2-methyl-3-phenyl-isothiourea Formula: C12H15N7S3 MolecularWeight: 353.4894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NNC(=NC2=CC=CC=C2)SC

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NNC(=NC2=CC=CC=C2)SC

InChI

InChI=1S/C12H15N7S3/c1-21-10(14-8-6-4-3-5-7-8)16-17-12(20)19-9(13)15-11(18-19)22-2/h3-7H,1-2H3,(H,14,16)(H,17,20)(H2,13,15,18)