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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C17H15N3O2S2/c1-2-4-12(5-3-1)9-18-16-19-20-17(24-16)23-10-13-6-7-14-15(8-13)22-11-21-14/h1-8H,9-11H2,(H,18,19)