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

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione CAS Name: 1-(3,4-dimethylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)-5-tetrazolethione IUPAC Name: 1-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione Traditional Name: 1-(3,4-dimethylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione Formula: C14H20N5S+ MolecularWeight: 290.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC3)C

InChI

InChI=1S/C14H19N5S/c1-11-5-6-13(9-12(11)2)19-14(20)18(15-16-19)10-17-7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3/p+1