1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-piperonylpiperazino)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CS5

InChI

InChI=1S/C18H20N6O3S/c25-18-23(19-20-24(18)17-2-1-9-28-17)12-22-7-5-21(6-8-22)11-14-3-4-15-16(10-14)27-13-26-15/h1-4,9-10H,5-8,11-13H2