5-phenyl-4-prop-2-enyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-4-prop-2-enyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-[[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-phenyl-4-prop-2-enyl-2-[[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-4-prop-2-enyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-[[4-(3-thenyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H27N5S2+2 MolecularWeight: 413.60258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S2/c1-2-9-25-20(19-6-4-3-5-7-19)22-26(21(25)27)17-24-12-10-23(11-13-24)15-18-8-14-28-16-18/h2-8,14,16H,1,9-13,15,17H2/p+2