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

Systemtic Name: 5-phenyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5S/c1-2-13-27-22(21-11-7-4-8-12-21)24-28(23(27)29)19-26-16-14-25(15-17-26)18-20-9-5-3-6-10-20/h2-12H,1,13-19H2/p+1