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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzodioxol-5-ylmethylthio)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: o-phenetyl-[5-(piperonylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S2/c1-2-22-14-6-4-3-5-13(14)19-17-20-21-18(26-17)25-10-12-7-8-15-16(9-12)24-11-23-15/h3-9H,2,10-11H2,1H3,(H,19,20)