methyl N,N'-bis(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)carbamimidothioate

Systemtic Name: methyl N,N'-bis(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)carbamimidothioate Openeye Name: 2-methyl-1,3-bis(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)isothiourea CAS Name: N,N'-bis[5-(methylthio)-2-phenyl-1,2,4-triazol-3-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)carbamimidothioate Traditional Name: 2-methyl-1,3-bis[5-(methylthio)-2-phenyl-1,2,4-triazol-3-yl]isothiourea Formula: C20H20N8S3 MolecularWeight: 468.6214

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NC(=NC2=NC(=NN2C3=CC=CC=C3)SC)SC)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=N1)N/C(=N/C2=NC(=NN2C3=CC=CC=C3)SC)/SC)C4=CC=CC=C4

InChI

InChI=1S/C20H20N8S3/c1-29-18(21-16-23-19(30-2)25-27(16)14-10-6-4-7-11-14)22-17-24-20(31-3)26-28(17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,21,22,23,24,25,26)