5-methyl-2-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione

Systemtic Name: 5-methyl-2-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Openeye Name: 2-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione CAS Name: 5-methyl-2-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione IUPAC Name: 2-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Traditional Name: 2-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione Formula: C13H12N4S MolecularWeight: 256.32618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N2C(=N1)N=C(N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=S)N2C(=N1)N=C(N2)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4S/c1-9-7-12(18)17-13(14-9)15-11(16-17)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)