4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C10H20N5S+ MolecularWeight: 242.3643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CN2C(=S)N(C=N2)C

Isomeric SMILES

C[NH+]1CCCN(CC1)CN2C(=S)N(C=N2)C

InChI

InChI=1S/C10H19N5S/c1-12-4-3-5-14(7-6-12)9-15-10(16)13(2)8-11-15/h8H,3-7,9H2,1-2H3/p+1