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

Systemtic Name: 7-methyl-5-methylsulfanyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidine Openeye Name: 3-benzylsulfanyl-7-methyl-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine CAS Name: 7-methyl-5-(methylthio)-3-(phenylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidine IUPAC Name: 3-benzylsulfanyl-7-methyl-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine Traditional Name: 3-(benzylthio)-7-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine Formula: C14H14N4S2 MolecularWeight: 302.41776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C(=N1)SC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=NN=C(N2C(=N1)SC)SCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4S2/c1-10-8-12-16-17-14(18(12)13(15-10)19-2)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3