6,7-dimethyl-1-(phenylmethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole

Systemtic Name: 6,7-dimethyl-1-(phenylmethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]benzimidazole Openeye Name: 1-benzylsulfanyl-6,7-dimethyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole CAS Name: 6,7-dimethyl-1-(phenylmethylthio)-3H-[1,2,4]triazolo[4,3-a]benzimidazole IUPAC Name: 1-benzylsulfanyl-6,7-dimethyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole Traditional Name: 1-(benzylthio)-6,7-dimethyl-3H-[1,2,4]triazolo[4,3-a]benzimidazole Formula: C17H16N4S MolecularWeight: 308.40074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(=N2)NN=C3SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(=N2)NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C17H16N4S/c1-11-8-14-15(9-12(11)2)21-16(18-14)19-20-17(21)22-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19)