2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H29N5S+2 MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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