1-(2,6-dimethylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(2,6-dimethylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2,6-dimethylphenyl)-4-(morpholin-4-ium-4-ylmethyl)tetrazole-5-thione CAS Name: 1-(2,6-dimethylphenyl)-4-(4-morpholin-4-iumylmethyl)-5-tetrazolethione IUPAC Name: 1-(2,6-dimethylphenyl)-4-(morpholin-4-ium-4-ylmethyl)tetrazole-5-thione Traditional Name: 1-(2,6-dimethylphenyl)-4-(morpholin-4-ium-4-ylmethyl)tetrazole-5-thione Formula: C14H20N5OS+ MolecularWeight: 306.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=S)N(N=N2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=S)N(N=N2)C[NH+]3CCOCC3

InChI

InChI=1S/C14H19N5OS/c1-11-4-3-5-12(2)13(11)19-14(21)18(15-16-19)10-17-6-8-20-9-7-17/h3-5H,6-10H2,1-2H3/p+1