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

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N6S+ MolecularWeight: 393.5284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6S/c1-2-11-26-20(18-7-6-10-22-16-18)23-27(21(26)28)17-24-12-14-25(15-13-24)19-8-4-3-5-9-19/h2-10,16H,1,11-15,17H2/p+1