N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolylmethyl)-1,2,4-thiadiazol-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine Traditional Name: [3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-piperonyl-amine Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O2S/c1-12-2-4-13(5-3-12)9-17-20-18(24-21-17)19-10-14-6-7-15-16(8-14)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,20,21)