6-[(3-methylphenyl)methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 6-[(3-methylphenyl)methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 6-(m-tolylmethylsulfanyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-[(3-methylphenyl)methylthio]-3-[(2R)-2-pyrrolidin-1-iumyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 6-[(3-methylphenyl)methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 6-[(3-methylbenzyl)thio]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C15H18N5S2+ MolecularWeight: 332.46692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN3C(=NN=C3S2)C4CCC[NH2+]4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN3C(=NN=C3S2)[C@H]4CCC[NH2+]4

InChI

InChI=1S/C15H17N5S2/c1-10-4-2-5-11(8-10)9-21-15-19-20-13(12-6-3-7-16-12)17-18-14(20)22-15/h2,4-5,8,12,16H,3,6-7,9H2,1H3/p+1/t12-/m1/s1