3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 3-benzylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 3-(phenylmethylthio)-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 3-benzylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 3-(benzylthio)-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C3N2C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C3N2C=CC=N3

InChI

InChI=1S/C12H10N4S/c1-2-5-10(6-3-1)9-17-12-15-14-11-13-7-4-8-16(11)12/h1-8H,9H2