5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(m-tolyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: m-tolyl-[5-(piperonylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C17H15N3O2S2 MolecularWeight: 357.4499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O2S2/c1-11-3-2-4-13(7-11)18-16-19-20-17(24-16)23-9-12-5-6-14-15(8-12)22-10-21-14/h2-8H,9-10H2,1H3,(H,18,19)