N-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-benzylsulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(3-methoxyphenyl)-5-(phenylmethylthio)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-benzylsulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(3-methoxyphenyl)amine Formula: C16H15N3OS2 MolecularWeight: 329.4398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS2/c1-20-14-9-5-8-13(10-14)17-15-18-19-16(22-15)21-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,18)