5-azanyl-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-azanyl-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-amino-2-benzylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-amino-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile IUPAC Name: 5-amino-2-benzylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-amino-2-(benzylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C13H10N6S MolecularWeight: 282.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C=C(C(=NC3=N2)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C=C(C(=NC3=N2)N)C#N

InChI

InChI=1S/C13H10N6S/c14-6-10-7-19-12(16-11(10)15)17-13(18-19)20-8-9-4-2-1-3-5-9/h1-5,7H,8H2,(H2,15,16,17,18)