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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)N(N=N2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)N(N=N2)C[NH+]3CCOCC3

InChI

InChI=1S/C13H17N5OS/c1-11-4-2-3-5-12(11)18-13(20)17(14-15-18)10-16-6-8-19-9-7-16/h2-5H,6-10H2,1H3/p+1