4-cyclopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H24N5S+ MolecularWeight: 330.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C17H23N5S/c1-14-18-21(17(23)22(14)16-7-8-16)13-19-9-11-20(12-10-19)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3/p+1