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

Systemtic Name: 5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H26N5S+ MolecularWeight: 392.54034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5S/c1-2-13-26-21(19-9-5-3-6-10-19)23-27(22(26)28)18-24-14-16-25(17-15-24)20-11-7-4-8-12-20/h2-12H,1,13-18H2/p+1