5-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[cyclopropylmethyl(propyl)azaniumyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[cyclopropylmethyl(propyl)ammonio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C16H22N4S/c1-2-10-19(11-13-8-9-13)12-15-17-18-16(21)20(15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21)