1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione CAS Name: 1-(4-methoxyphenyl)-4-(1-pyrrolidin-1-iumylmethyl)-5-tetrazolethione IUPAC Name: 1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione Traditional Name: 1-(4-methoxyphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione Formula: C13H18N5OS+ MolecularWeight: 292.37992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC3

InChI

InChI=1S/C13H17N5OS/c1-19-12-6-4-11(5-7-12)18-13(20)17(14-15-18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3/p+1