N-(3-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(m-tolyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(3-methylphenyl)-5-(2-pyridin-4-ylethylthio)-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine Traditional Name: m-tolyl-[5-[2-(4-pyridyl)ethylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H16N4S2 MolecularWeight: 328.45504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCC3=CC=NC=C3

InChI

InChI=1S/C16H16N4S2/c1-12-3-2-4-14(11-12)18-15-19-20-16(22-15)21-10-7-13-5-8-17-9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)