7-chloranyl-5-(fluoranylmethyl)-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 7-chloranyl-5-(fluoranylmethyl)-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-benzylsulfanyl-7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-chloro-5-(fluoromethyl)-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-benzylsulfanyl-7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-(benzylthio)-7-chloro-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C13H10ClFN4S MolecularWeight: 308.761703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=N2)CF)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=N2)CF)Cl

InChI

InChI=1S/C13H10ClFN4S/c14-11-6-10(7-15)16-12-17-13(18-19(11)12)20-8-9-4-2-1-3-5-9/h1-6H,7-8H2