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

Systemtic Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methyl-1,2,4-thiadiazol-5-amine Openeye Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methyl-1,2,4-thiadiazol-5-amine CAS Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]methyl]-3-(1-imidazolyl)-N-methyl-1,2,4-thiadiazol-5-amine IUPAC Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methyl-1,2,4-thiadiazol-5-amine Traditional Name: (3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-[(1-piperonylpyrrolidin-3-yl)methyl]amine Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NS4)N5C=CN=C5

Isomeric SMILES

CN(CC1CCN(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NS4)N5C=CN=C5

InChI

InChI=1S/C19H22N6O2S/c1-23(19-21-18(22-28-19)25-7-5-20-12-25)9-15-4-6-24(11-15)10-14-2-3-16-17(8-14)27-13-26-16/h2-3,5,7-8,12,15H,4,6,9-11,13H2,1H3