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

Systemtic Name: 3-ethyl-7-phenyl-5-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine Openeye Name: 5-benzylsulfanyl-3-ethyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine CAS Name: 3-ethyl-7-phenyl-5-(phenylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidine IUPAC Name: 5-benzylsulfanyl-3-ethyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine Traditional Name: 5-(benzylthio)-3-ethyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C2N1C(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C2N1C(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4S/c1-2-18-22-23-19-13-17(16-11-7-4-8-12-16)21-20(24(18)19)25-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3