[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-23-19(17-8-4-2-5-9-17)22-26(21(23)28)16-24-12-14-25(15-13-24)20(27)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3/p+1