3-[4-ethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C18H27N6OS+ MolecularWeight: 375.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-2-23-17(9-8-16(19)25)20-24(18(23)26)14-21-10-12-22(13-11-21)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H2,19,25)/p+1