1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H21N6O3S2+ MolecularWeight: 433.52774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3S2/c25-18-23(19-20-24(18)17-7-4-13-28-17)15-21-9-11-22(12-10-21)29(26,27)14-8-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1/b14-8+