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

Systemtic Name: 5-phenyl-4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-phenyl-4-prop-2-enyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-4-prop-2-enyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H26N6S+2 MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

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