2-methylsulfanyl-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

Systemtic Name: 2-methylsulfanyl-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine Openeye Name: 2-methylsulfanyl-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine CAS Name: 2-(methylthio)-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrimidine IUPAC Name: 2-methylsulfanyl-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine Traditional Name: 2-(methylthio)-4,6-bis[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrimidine Formula: C21H16N8S3 MolecularWeight: 476.60034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)SC2=NNC(=N2)C3=CC=CC=C3)SC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)SC2=NNC(=N2)C3=CC=CC=C3)SC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N8S3/c1-30-19-22-15(31-20-24-17(26-28-20)13-8-4-2-5-9-13)12-16(23-19)32-21-25-18(27-29-21)14-10-6-3-7-11-14/h2-12H,1H3,(H,24,26,28)(H,25,27,29)