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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: (4-methoxyphenyl)-[5-(piperonylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O3S2/c1-21-13-5-3-12(4-6-13)18-16-19-20-17(25-16)24-9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,18,19)