2,2-diphenyl-1-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2,2-diphenyl-1-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 2,2-diphenyl-1-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2,2-diphenyl-1-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5OS/c1-2-13-28-18-25-29(24(28)31)19-26-14-16-27(17-15-26)23(30)22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-12,18,22H,1,13-17,19H2/p+1