7-phenyl-5-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine

Systemtic Name: 7-phenyl-5-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine Openeye Name: 5-benzylsulfanyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine CAS Name: 7-phenyl-5-(phenylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidine IUPAC Name: 5-benzylsulfanyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine Traditional Name: 5-(benzylthio)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC3=NN=CN32)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC3=NN=CN32)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4S/c1-3-7-14(8-4-1)12-23-18-20-16(15-9-5-2-6-10-15)11-17-21-19-13-22(17)18/h1-11,13H,12H2