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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-isopropylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: p-cumenyl-[5-(piperonylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S2/c1-12(2)14-4-6-15(7-5-14)20-18-21-22-19(26-18)25-10-13-3-8-16-17(9-13)24-11-23-16/h3-9,12H,10-11H2,1-2H3,(H,20,21)